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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H31BrN2O4
Molecular Weight 503.429
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Bromo-3-[(4-nitrophenoxy)imino]-5?-androstan-17-one, 2?-

SMILES

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

InChI

InChIKey=VAVMQQNNCHMREK-NCIANOTLSA-N
InChI=1S/C25H31BrN2O4/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 C25H31BrN2O4
Molecular Weight 503.429
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 21:32:20 GMT 2025
Edited
by admin
on Mon Mar 31 21:32:20 GMT 2025
Record UNII
3LCE9UV36L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bromo-3-[(4-nitrophenoxy)imino]-5?-androstan-17-one, 2?-
Common Name English
2?-Bromo-3-[(4-nitrophenoxy)imino]-5?-androstan-17-one
Preferred Name English
5-alpha-Androstane-3,17-dione, 2-alpha-bromo-, 3-(o-(p-nitrophenyl)oxime)
Common Name English
Androstane-3,17-dione, 2-bromo-, 3-[O-(4-nitrophenyl)oxime], (2?,5?)-
Common Name English
(2R,5S,8R,9S,10S,13S,14S)-2-Bromo-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
Systematic Name English
Code System Code Type Description
PUBCHEM
39994
Created by admin on Mon Mar 31 21:32:20 GMT 2025 , Edited by admin on Mon Mar 31 21:32:20 GMT 2025
PRIMARY
CAS
51354-35-9
Created by admin on Mon Mar 31 21:32:20 GMT 2025 , Edited by admin on Mon Mar 31 21:32:20 GMT 2025
PRIMARY
FDA UNII
3LCE9UV36L
Created by admin on Mon Mar 31 21:32:20 GMT 2025 , Edited by admin on Mon Mar 31 21:32:20 GMT 2025
PRIMARY