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(3beta)-17-(1H-Benzimidazol-1-yl)androsta-5,16-dien-3-yl acetate | CAS No. 851895-79-9

(3beta)-17-(1H-Benzimidazol-1-yl)androsta-5,16-dien-3-yl acetate

Basic Information

Chemical_Structure_Of

CAS Number

851895-79-9

Molecular Formula

C28H34N2O2

Molecular Weight

430.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

159-160℃

Density

1.26

SMILES

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4N5C=NC6=CC=CC=C65)C)C

InChI

InChI=1S/C28H34N2O2/c1-18(31)32-20-12-14-27(2)19(16-20)8-9-21-22-10-11-26(28(22,3)15-13-23(21)27)30-17-29-24-6-4-5-7-25(24)30/h4-8,11,17,20-23H,9-10,12-16H2,1-3H3/t20-,21-,22-,23-,27-,28-/m0/s1

InChIKey

BMVDJAHFXLMNKS-APJCQQALSA-N

LogP

6.381600000000007

Topological Polar Surface Area

44.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

848

Synonyms & References

English

Androsta-5,16-dien-3-ol, 17-(1H-benzimidazol-1-yl)-, 3-acetate, (3beta)-
BMVDJAHFXLMNKS-APJCQQALSA-N
DTXSID001157707
CS-M0072
851895-79-9
3beta-Acetoxy-17-(1H-benzimidazol-1-yl)-androsta-5,16-diene
[(3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
(3S,8R,9S,10R,13S,14S)-17-(1H-BENZO[D]IMIDAZOL-1-YL)-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL ACETATE
D77360
3beta-Acetoxy-17-(1H-benzimidazol-1-yl)androsta-5,16-diene
(3beta)-17-(1H-Benzimidazol-1-yl)androsta-5,16-dien-3-ol 3-acetate
SCHEMBL941180
Androsta-5,16-dien-3-ol, 17-(1H-benzimidazol-1-yl)-, acetate (ester), (3b)-
(3S,8R,9S,10R,13S,14S)-17-(1H-BENZO[D]IMIDAZOL-1-YL)-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15-DODECAHYDRO-1H-CYCLOP...
(3β)-17-(1H-Benzimidazol-1-yl)androsta-5,16-dien-3-yl acetate

MDL Number

MFCD00934213

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

Shanghai Yuyeh Biotechnology Co., Ltd.

CAS Number: 851895-79-9

ShenZhenShiRuiJiTe Biotechnology Co Ltd

CAS Number: 851895-79-9

Jin Jinle (Hunan) Chemical Co., Ltd.

CAS Number: 851895-79-9

LanZhouAnJieLiShengWuHuaXue Technology Co Ltd

CAS Number: 851895-79-9