2?-Chloro-3-[(4-nitrophenoxy)imino]-5?-androstan-17-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H31ClN2O4
Molecular Weight	458.978
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2?-Chloro-3-[(4-nitrophenoxy)imino]-5?-androstan-17-one

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=NOC5=CC=C(C=C5)[N+]([O-])=O)[C@H](Cl)C[C@]34C)[C@@H]1CCC2=O

InChI

InChIKey=UNMQXMIMWRFADJ-NMGWPLJBSA-N

InChI=1S/C25H31ClN2O4/c1-24-12-11-20-18(19(24)9-10-23(24)29)8-3-15-13-22(21(26)14-25(15,20)2)27-32-17-6-4-16(5-7-17)28(30)31/h4-7,15,18-21H,3,8-14H2,1-2H3/b27-22-/t15-,18-,19-,20-,21+,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H31ClN2O4
Molecular Weight	458.978
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:32:19 GMT 2025` Edited by `admin` on `Mon Mar 31 21:32:19 GMT 2025`
Record UNII	MX3C7BKF4J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2?-Chloro-3-[(4-nitrophenoxy)imino]-5?-androstan-17-one

Systematic Name

English

(2R,5S,8R,9S,10S,13S,14S)-2-Chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one

Preferred Name

English

Androstane-3,17-dione, 2-chloro-, 3-[O-(4-nitrophenyl)oxime], (2?,5?)-

Systematic Name

English

Code System Code Type Description

CAS

51354-33-7

Created by admin on Mon Mar 31 21:32:19 GMT 2025 , Edited by admin on Mon Mar 31 21:32:19 GMT 2025

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FDA UNII

MX3C7BKF4J

Created by admin on Mon Mar 31 21:32:19 GMT 2025 , Edited by admin on Mon Mar 31 21:32:19 GMT 2025

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PUBCHEM

39992

Created by admin on Mon Mar 31 21:32:19 GMT 2025 , Edited by admin on Mon Mar 31 21:32:19 GMT 2025

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