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2740-04-7 molecular structure
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8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenyl-4H-chromen-4-one

ChemBase ID: 130390
Molecular Formular: C20H21NO3
Molecular Mass: 323.38564
Monoisotopic Mass: 323.15214354
SMILES and InChIs

SMILES:
O=c1c2c(oc(c1C)c1ccccc1)c(c(OC)cc2)CN(C)C
Canonical SMILES:
COc1ccc2c(c1CN(C)C)oc(c(c2=O)C)c1ccccc1
InChI:
InChI=1S/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3
InChIKey:
ZXFQRFXLFWWKLX-UHFFFAOYSA-N

Cite this record

CBID:130390 http://www.chembase.cn/molecule-130390.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenyl-4H-chromen-4-one
IUPAC Traditional name
dimefline
Synonyms
Dimefline
8-[(Dimethylamino)methyl]-7-methoxy-3-methyl-2-phenyl-4H-1-benzopyran-4-one Hydrochloride
8-[(Dimethylamino)methyl]-7-methoxy-3-methylflavone Hydrochloride
2-Phenyl-3-methyl-7-methoxy-8-dimethylaminomethylchromone Hydrochloride
3-Methyl-7-methoxy-8-[(dimethylamino)methyl]flavone Hydrochloride
8-(Dimethylaminomethyl)-7-methoxy-3-methylflavone Hydrochloride
Dimeflin Hydrochloride
NSC 169869
Remeflin Hydrochloride
Dimefline Hydrochloride
CAS Number
2740-04-7
1165-48-6
PubChem SID
162224669
PubChem CID
3078
ATC CODE
R07AB08
Chemspider ID
2969
KEGG ID
D07847
Unique Ingredient Identifier
9WII5M0DU3
Wikipedia Title
Dimefline

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
TRC
D448250 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2603447  LogD (pH = 7.4) 3.1114376 
Log P 3.146661  Molar Refractivity 96.3342 cm3
Polarizability 36.67877 Å3 Polar Surface Area 38.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

Wikipedia Wikipedia TRC TRC
Toronto Research Chemicals - D448250 external link
Dimefline is a new respiratory stimulant drug.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Edwards, J.M., et al.: J. Nat. Prod., 42, 85 (1979)
  • • Setnikar, I., et al.: Arzneim.-Forsch., 11 1109 (1979)
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PATENTS

PATENTS

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INTERNET

INTERNET

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