Sturamustine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H34ClN3O3
Molecular Weight	423.977
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2NC(=O)N(CCCl)N=O

InChI

InChIKey=QSHCCJGNLACWQQ-UMWWKMARSA-N

InChI=1S/C22H34ClN3O3/c1-21-9-7-15(27)13-14(21)3-4-16-17-5-6-19(22(17,2)10-8-18(16)21)24-20(28)26(25-29)12-11-23/h3,15-19,27H,4-13H2,1-2H3,(H,24,28)/t15-,16-,17-,18-,19-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H34ClN3O3
Molecular Weight	423.977
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:27:29 GMT 2025` Edited by `admin` on `Wed Apr 02 09:27:29 GMT 2025`
Record UNII	YBB6TJD2VC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sturamustine

Common Name

English

1-[(1S,3aS,3bR,7S,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-3-(2-chloroethyl)-3-nitrosourea

Preferred Name

English

Urea, N-(2-chloroethyl)-N?-[(3?,17?)-3-hydroxyandrost-5-en-17-yl]-N-nitroso-

Systematic Name

English

Code System Code Type Description

PUBCHEM

13276920