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146929-33-1 molecular structure
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2-[4-(furan-2-carbonyl)-decahydroquinoxalin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride

ChemBase ID: 133946
Molecular Formular: C23H28ClN5O4
Molecular Mass: 473.95252
Monoisotopic Mass: 473.18298208
SMILES and InChIs

SMILES:
COc1cc2c(cc1OC)nc(nc2N)N1CCN(C2C1CCCC2)C(=O)c1ccco1.Cl
Canonical SMILES:
COc1cc2nc(nc(c2cc1OC)N)N1CCN(C2C1CCCC2)C(=O)c1ccco1.Cl
InChI:
InChI=1S/C23H27N5O4.ClH/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18;/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26);1H
InChIKey:
SKDIDWRQDBIQBS-UHFFFAOYSA-N

Cite this record

CBID:133946 http://www.chembase.cn/molecule-133946.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(furan-2-carbonyl)-decahydroquinoxalin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride
IUPAC Traditional name
2-[4-(furan-2-carbonyl)-octahydroquinoxalin-1-yl]-6,7-dimethoxyquinazolin-4-amine hydrochloride
Synonyms
1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl) decahydroquinoxaline
Cyclazosin hydrochloride
CAS Number
146929-33-1
MDL Number
MFCD01860867
PubChem SID
162228223
24892491
PubChem CID
16219097

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
C247 external link Add to cart Please log in.
Data Source Data ID
PubChem 16219097 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5825866  LogD (pH = 7.4) 2.8543413 
Log P 3.0649855  Molar Refractivity 120.5815 cm3
Polarizability 45.943306 Å3 Polar Surface Area 106.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Solubility
DMSO: soluble2.5 mg/mL expand Show data source
H2O: soluble1.8 mg/mL expand Show data source
methanol: soluble14 mg/mL expand Show data source
Apperance
white solid expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - C247 external link
Biochem/physiol Actions
α1B-adrenoceptor antagonist.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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