Chembase list of 866358 unique molecular structures

ID: 111951

[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-[4-(acetyloxy)phenoxy]oxan-2-yl]methyl...

$$$$ Data

M. F.

C22H26O12

Suppliers	Catalog Number
MP Biomedicals	05221936

Database	Data ID
PubChem	9805253

M. W.

482.43464

CAS

Similarity

N/A

ID: 111952

5-methyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7-ol

$$$$ Data

M. F.

C5H5N5O

Suppliers	Catalog Number
MP Biomedicals	05221937

Database	Data ID
PubChem	246914

M. W.

151.1261

CAS

Similarity

N/A

ID: 111953

7-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-ol

$$$$ Data

M. F.

C5H5N5O

Suppliers	Catalog Number
MP Biomedicals	05221938

Database	Data ID
PubChem	246915

M. W.

151.1261

CAS

Similarity

N/A

ID: 111954

ethyl 4-methyl-2-oxocyclohexane-1-carboxylate

$$$$ Data

M. F.

C10H16O3

Suppliers	Catalog Number
Sigma Aldrich	E35702
MP Biomedicals	05221941

Database	Data ID
PubChem	98162

M. W.

184.23224

CAS

13537-82-1

Similarity

N/A

ID: 111955

1-ethoxyoctadecane

$$$$ Data

M. F.

C20H42O

Suppliers	Catalog Number
MP Biomedicals	05221942

Database	Data ID
PubChem	3014870

M. W.

298.54688

CAS

Similarity

N/A

ID: 111956

N-(naphthalen-2-yl)-3-phenyl-2-(phenylformamido)propanamide

$$$$ Data

M. F.

C26H22N2O2

Suppliers	Catalog Number
MP Biomedicals	05221945

Database	Data ID
PubChem	588625

M. W.

394.46508

CAS

Similarity

N/A

ID: 111957

tin(2+) ion 2,3-dihydroxybutanedioate

$$$$ Data

M. F.

C4H4O6Sn

Suppliers	Catalog Number
MP Biomedicals	05221948

Database	Data ID
PubChem	94188

M. W.

266.77196

CAS

815-85-0

Similarity

N/A

ID: 111958

cerium(3+) ion tris(4-oxopent-2-en-2-olate)

$$$$ Data

M. F.

C15H21CeO6

Suppliers	Catalog Number
MP Biomedicals	05221951
Alfa Aesar	21116

Database	Data ID
PubChem	6450231

M. W.

437.43964

CAS

206996-61-4

Similarity

N/A

ID: 111959

1,3-diaminopropan-2-one dihydrochloride

$$$$ Data

M. F.

C3H10Cl2N2O

Suppliers	Catalog Number
MP Biomedicals	05221953

Database	Data ID
PubChem	198422

M. W.

161.0303

CAS

Similarity

N/A

ID: 111960

tris(4-methylphenyl) phosphate

$$$$ Data

M. F.

C21H21O4P

Suppliers	Catalog Number
MP Biomedicals	05221956

Database	Data ID
PubChem	6529

M. W.

368.362801

CAS

78-32-0

Similarity

N/A

ID: 111961

1-(chloromethyl)-3,5-dimethylbenzene

$$$$ Data

M. F.

C9H11Cl

Suppliers	Catalog Number
MP Biomedicals	05221978
Enamine	EN300-22394

Database	Data ID
PubChem	137700

M. W.

154.63664

CAS

2745-54-2

Similarity

N/A

ID: 111962

3,7-dimethylocta-2,6-dien-1-yl but-2-enoate

$$$$ Data

M. F.

C14H22O2

Suppliers	Catalog Number
MP Biomedicals	05221980

Database	Data ID
PubChem	5980396

M. W.

222.32328

CAS

Similarity

N/A

ID: 111963

sodium 3-methyl-2-oxobutanoate

$$$$ Data

M. F.

C5H7NaO3

Suppliers	Catalog Number
Sigma Aldrich	198994 W386901 68253
MP Biomedicals	05221981
TRC	K193500

Database	Data ID
PubChem	2724059

M. W.

138.09705

CAS

3715-29-5

Similarity

N/A

ID: 111964

trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane

$$$$ Data More

M. F.

C9H20O5Si

Suppliers	Catalog Number
Sigma Aldrich	G1535 440167 50040
MP Biomedicals	05221983
Alfa Aesar	A18431

Database	Data ID
PubChem	17317

M. W.

236.3376

CAS

2530-83-8

Similarity

N/A

ID: 111965

4-chlorobenzene-1,3-diamine

$$$$ Data More

M. F.

C6H7ClN2

Suppliers	Catalog Number
Sigma Aldrich	125172
MP Biomedicals	05221992
Alfa Aesar	A15430

Database	Data ID
PubChem	21209

M. W.

142.58618

CAS

5131-60-2

Similarity

N/A

ID: 111966

4-methylheptan-3-ol

$$$$ Data

M. F.

C8H18O

Suppliers	Catalog Number
Sigma Aldrich	M48309
MP Biomedicals	05221994
Alfa Aesar	B20357

Database	Data ID
PubChem	26989

M. W.

130.22792

CAS

14979-39-6

Similarity

N/A

ID: 111967

2-(aziridin-1-yl)ethan-1-ol

$$$$ Data

M. F.

C4H9NO

Suppliers	Catalog Number
Sigma Aldrich	106909
MP Biomedicals	05221999
A&J Pharmtech	AJA-O3619

Database	Data ID
PubChem	14074

M. W.

87.12036

CAS

1072-52-2

Similarity

N/A

ID: 111968

3-hydroxy-N,N-bis(2-hydroxyethyl)naphthalene-2-carboxamide

$$$$ Data

M. F.

C15H17NO4

Suppliers	Catalog Number
MP Biomedicals	05222005

Database	Data ID
PubChem	82344

M. W.

275.29978

CAS

10089-93-7

Similarity

N/A

ID: 111969

3-methyl-2-phenylpyridine

$$$$ Data More

M. F.

C12H11N

Suppliers	Catalog Number
Sigma Aldrich	198862
MP Biomedicals	05222009
Bide Pharmatech	BD17317

Database	Data ID
PubChem	66302

M. W.

169.22244

CAS

10273-90-2

Similarity

N/A

ID: 111970

8-hydroxyquinoline-7-sulfonic acid

$$$$ Data

M. F.

C9H7NO4S

Suppliers	Catalog Number
MP Biomedicals	05222011

Database	Data ID
PubChem	10027071

M. W.

225.22118

CAS

Similarity

N/A

ID: 111971

cobalt(2+) ion dichloride

$$$$ Data

M. F.

Cl2Co

Suppliers	Catalog Number
MP Biomedicals	05222013
Alfa Aesar	12303 B22031 13666 (more...)

Database	Data ID
PubChem	3032536

M. W.

129.8392

CAS

7646-79-9

Similarity

N/A

ID: 111972

ammonium benzoate

$$$$ Data More

M. F.

C7H9NO2

Suppliers	Catalog Number
MP Biomedicals	05222015
Alfa Aesar	30753
Chemik	CHB85576

Database	Data ID
Wikipedia	Ammonium_benzoate
PubChem	15830

M. W.

139.15186

CAS

1863-63-4

Similarity

N/A

ID: 111973

3-methyl-3-propylpyrrolidine-2,5-dione

$$$$ Data

M. F.

C8H13NO2

Suppliers	Catalog Number
Sigma Aldrich	194956
MP Biomedicals	05222016

Database	Data ID
PubChem	73899

M. W.

155.19432

CAS

1497-19-4

Similarity

N/A

ID: 111974

tris(2-methylphenyl) phosphate

$$$$ Data

M. F.

C21H21O4P

Suppliers	Catalog Number
MP Biomedicals	05222017
Alfa Aesar	A17433

Database	Data ID
Wikipedia	Tricresyl_phosphate
PubChem	6527

M. W.

368.362801

CAS

78-30-8

Similarity

N/A

ID: 111975

2-(2-iodophenyl)acetonitrile

$$$$ Data More

M. F.

C8H6IN

Suppliers	Catalog Number
Sigma Aldrich	531464
MP Biomedicals	05222023
Alfa Aesar	L12767

Database	Data ID
PubChem	4402282

M. W.

243.04441

CAS

40400-15-5

Similarity

N/A

ID: 111976

2-hexylcyclopent-2-en-1-one

$$$$ Data

M. F.

C11H18O

Suppliers	Catalog Number
MP Biomedicals	05222025
InterBioScreen	BB_NC-0325

Database	Data ID
PubChem	66768

M. W.

166.26002

CAS

95-41-0

Similarity

N/A

ID: 111977

benzene-1,3-dicarbohydrazide

$$$$ Data

M. F.

C8H10N4O2

Suppliers	Catalog Number
MP Biomedicals	05222027
Bide Pharmatech	BD135214

Database	Data ID
PubChem	72700

M. W.

194.1906

CAS

2760-98-7

Similarity

N/A

ID: 111978

5-methyl-2-(prop-1-en-2-yl)cyclohexyl acetate

$$$$ Data

M. F.

C12H20O2

Suppliers	Catalog Number
Sigma Aldrich	W296503
MP Biomedicals	05222030

Database	Data ID
PubChem	494311

M. W.

196.286

CAS

89-49-6

Similarity

N/A

ID: 111979

7-oxoheptanoic acid

$$$$ Data

M. F.

C7H12O3

Suppliers	Catalog Number
MP Biomedicals	05222032

Database	Data ID
PubChem	169732

M. W.

144.16838

CAS

3128-07-2

Similarity

N/A

ID: 111980

dilanthanum(3+) ion trisulfanediide

$$$$ Data

M. F.

La2S3

Suppliers	Catalog Number
MP Biomedicals	05222033
Alfa Aesar	22655

Database	Data ID
PubChem	165996

M. W.

374.006

CAS

12031-49-1

Similarity

N/A

ID: 111981

$l^{2}-lead(2+) ion bis(12-hydroxyoctadecanoate)

$$$$ Data

M. F.

C36H70O6Pb

Suppliers	Catalog Number
MP Biomedicals	05222035

Database	Data ID
PubChem	94039

M. W.

806.1374

CAS

58405-97-3

Similarity

N/A

ID: 111982

$l^{2}-lead(2+) ion sulfite

$$$$ Data

M. F.

O3PbS

Suppliers	Catalog Number
MP Biomedicals	05222037

Database	Data ID
PubChem	6452595

M. W.

287.2632

CAS

62229-08-7

Similarity

N/A

ID: 111983

methyl tetracosanoate

$$$$ Data

M. F.

C25H50O2

Suppliers	Catalog Number
Sigma Aldrich	L6766 87115
MP Biomedicals	05222038

Database	Data ID
PubChem	75546

M. W.

382.6633

CAS

2442-49-1

Similarity

N/A

ID: 111984

lithium(1+) ion 3-carboxypropanoate

$$$$ Data

M. F.

C4H5LiO4

Suppliers	Catalog Number
MP Biomedicals	05222040

Database	Data ID
PubChem	25021852

M. W.

124.0211

CAS

16090-09-8

Similarity

N/A

ID: 111985

dilutetium(3+) ion trisulfanediuide

$$$$ Data

M. F.

Lu2S3

Suppliers	Catalog Number
MP Biomedicals	05222043

Database	Data ID
PubChem	166643

M. W.

446.1286

CAS

12163-20-1

Similarity

N/A

ID: 111986

2-methylhex-1-ene

$$$$ Data

M. F.

C7H14

Suppliers	Catalog Number
Sigma Aldrich	111627 67440
MP Biomedicals	05222044

Database	Data ID
PubChem	22468

M. W.

98.18606

CAS

6094-02-6

Similarity

N/A

ID: 111987

2-methylhex-2-ene

$$$$ Data

M. F.

C7H14

Suppliers	Catalog Number
MP Biomedicals	05222045

Database	Data ID
PubChem	17656

M. W.

98.18606

CAS

2738-19-4

Similarity

N/A

ID: 111988

magnesium(2+) ion diammonium disulfate

$$$$ Data

M. F.

H8MgN2O8S2

Suppliers	Catalog Number
MP Biomedicals	05222047

Database	Data ID
PubChem	25021856

M. W.

252.50712

CAS

Similarity

N/A

ID: 111989

N,N,N-trimethylanilinium; tribroman-2-uide

$$$$ Data

M. F.

C9H14Br3N

Suppliers	Catalog Number
Sigma Aldrich	139718 79253
MP Biomedicals	05222075
Bide Pharmatech	BD160392

Database	Data ID
PubChem	77880

M. W.

375.92616

CAS

4207-56-1

Similarity

N/A

ID: 111990

1-methoxy-2-phenylbenzene

$$$$ Data

M. F.

C13H12O

Suppliers	Catalog Number
Sigma Aldrich	196460
MP Biomedicals	05222078
Alfa Aesar	L01063

Database	Data ID
PubChem	6835

M. W.

184.23378

CAS

86-26-0

Similarity

N/A

ID: 111991

10-methylanthracene-9-carbaldehyde

$$$$ Data

M. F.

C16H12O

Suppliers	Catalog Number
Sigma Aldrich	M29657
MP Biomedicals	05222090

Database	Data ID
PubChem	81519

M. W.

220.26588

CAS

7072-00-6

Similarity

N/A

ID: 111992

1-methylcycloheptan-1-ol

$$$$ Data

M. F.

C8H16O

Suppliers	Catalog Number
MP Biomedicals	05222102
Alfa Aesar	B20393

Database	Data ID
PubChem	77376

M. W.

128.21204

CAS

3761-94-2

Similarity

N/A

ID: 111993

N-acetyl-N-methylacetamide

$$$$ Data

M. F.

C5H9NO2

Suppliers	Catalog Number
MP Biomedicals	05222104
Alfa Aesar	B20291

Database	Data ID
PubChem	14214

M. W.

115.13046

CAS

1113-68-4

Similarity

N/A

ID: 111994

methanediamine; bis(nitric acid)

$$$$ Data

M. F.

CH8N4O6

Suppliers	Catalog Number
MP Biomedicals	05222107

Database	Data ID
PubChem	20569149

M. W.

172.09742

CAS

Similarity

N/A

ID: 111995

N-(2H-1,3-benzodioxol-5-yl)acetamide

$$$$ Data

M. F.

C9H9NO3

Suppliers	Catalog Number
MP Biomedicals	05222108

Database	Data ID
PubChem	98688

M. W.

179.17266

CAS

13067-19-1

Similarity

N/A

ID: 111996

N-(2H-1,3-benzodioxol-5-ylmethylidene)aniline

$$$$ Data

M. F.

C14H11NO2

Suppliers	Catalog Number
MP Biomedicals	05222110

Database	Data ID
PubChem	141373

M. W.

225.24264

CAS

27738-39-2

Similarity

N/A

ID: 111997

3-methylhepta-1,5-diene

$$$$ Data

M. F.

C8H14

Suppliers	Catalog Number
MP Biomedicals	05222115

Database	Data ID
PubChem	5364396

M. W.

110.19676

CAS

4894-62-6

Similarity

N/A

ID: 111998

9,10-dichloroanthracene

$$$$ Data

M. F.

C14H8Cl2

Suppliers	Catalog Number
Sigma Aldrich	252085
MP Biomedicals	05222127
Alfa Aesar	A12823

Database	Data ID
PubChem	11800

M. W.

247.11932

CAS

605-48-1

Similarity

N/A

ID: 111999

bis($l^{1}-thallanylium) selandiide

$$$$ Data

M. F.

SeTl2

Suppliers	Catalog Number
MP Biomedicals	05222128
Alfa Aesar	36296

Database	Data ID
PubChem	167302

M. W.

487.7266

CAS

15572-25-5

Similarity

N/A

ID: 112000

1-(ethenyloxy)hexadecane

$$$$ Data

M. F.

C18H36O

Suppliers	Catalog Number
MP Biomedicals	05222129

Database	Data ID
PubChem	69971

M. W.

268.47784

CAS

822-28-6

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified