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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23BrO2
Molecular Weight 363.289
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Bromoandrosta-1,4-diene-3,17-dione, (6?)-

SMILES

C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O

InChI

InChIKey=HLVXZPIZCYODAB-DQXCSHPPSA-N
InChI=1S/C19H23BrO2/c1-18-7-5-11(21)9-15(18)16(20)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h5,7,9,12-14,16H,3-4,6,8,10H2,1-2H3/t12-,13-,14-,16+,18+,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H23BrO2
Molecular Weight 363.289
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 Wed Apr 02 19:41:39 GMT 2025
Edited
by admin
on Wed Apr 02 19:41:39 GMT 2025
Record UNII
KU3P8WX3MW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Bromo-androsta-1,4-diene-3,17-dione, (6?)-
Preferred Name English
6-Bromoandrosta-1,4-diene-3,17-dione, (6?)-
Systematic Name English
Androsta-1,4-diene-3,17-dione, 6-bromo-, (6?)-
Systematic Name English
Code System Code Type Description
CAS
27759-21-3
Created by admin on Wed Apr 02 19:41:39 GMT 2025 , Edited by admin on Wed Apr 02 19:41:39 GMT 2025
PRIMARY
FDA UNII
KU3P8WX3MW
Created by admin on Wed Apr 02 19:41:39 GMT 2025 , Edited by admin on Wed Apr 02 19:41:39 GMT 2025
PRIMARY
PUBCHEM
25170578
Created by admin on Wed Apr 02 19:41:39 GMT 2025 , Edited by admin on Wed Apr 02 19:41:39 GMT 2025
PRIMARY
Related Record Type Details
EPIMER -> DIASTEREOISOMER