(9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl)4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H44Cl2N2O3
Molecular Weight	575.609
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl)4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CC=C4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl

InChI

InChIKey=ZWUCNQLCSQYDDQ-VHBYAKMZSA-N

InChI=1S/C32H44Cl2N2O3/c1-31-17-15-29(37)35-27(31)12-10-24-25-11-13-28(32(25,2)16-14-26(24)31)39-30(38)5-3-4-22-6-8-23(9-7-22)36(20-18-33)21-19-34/h6-9,12,24-26,28H,3-5,10-11,13-21H2,1-2H3,(H,35,37)/t24-,25-,26-,28-,31+,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H44Cl2N2O3
Molecular Weight	575.609
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:12:38 GMT 2025` Edited by `admin` on `Mon Mar 31 22:12:38 GMT 2025`
Record UNII	PKM73HXU3G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

17-BETA-HYDROXY-4-AZA-A-NOR-5-ANDROSTEN-3-ONE-N,N-BIS-(2-CHLOROETHYL)AMINOPHENYLBUTYRATE

Preferred Name

English

(9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl)4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

Systematic Name

English

4-Azaandrost-5-en-3-one, 17-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]-, (17?)-

Systematic Name

English

Benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-, (4aR,4bS,6aS,7S,9aS,9bR)-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinolin-7-yl ester

Systematic Name

English

Code System Code Type Description

CAS

107534-94-1

Created by admin on Mon Mar 31 22:12:38 GMT 2025 , Edited by admin on Mon Mar 31 22:12:38 GMT 2025

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FDA UNII

PKM73HXU3G

Created by admin on Mon Mar 31 22:12:38 GMT 2025 , Edited by admin on Mon Mar 31 22:12:38 GMT 2025

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PUBCHEM

60192

Created by admin on Mon Mar 31 22:12:38 GMT 2025 , Edited by admin on Mon Mar 31 22:12:38 GMT 2025

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EPA CompTox

DTXSID80910350

Created by admin on Mon Mar 31 22:12:38 GMT 2025 , Edited by admin on Mon Mar 31 22:12:38 GMT 2025

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