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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38ClNO
Molecular Weight 440.06
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-CHLOROBUTYLABIRATERONE

SMILES

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OCCCCCl)[C@@H]1CC=C2C5=CN=CC=C5

InChI

InChIKey=NLUIKYOSBJUYBG-SBBQFRTFSA-N
InChI=1S/C28H38ClNO/c1-27-13-11-22(31-17-4-3-15-29)18-21(27)7-8-23-25-10-9-24(20-6-5-16-30-19-20)28(25,2)14-12-26(23)27/h5-7,9,16,19,22-23,25-26H,3-4,8,10-15,17-18H2,1-2H3/t22-,23-,25-,26-,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H37ClN2O
Molecular Weight 441.048
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 23:15:13 GMT 2025
Edited
by admin
on Mon Mar 31 23:15:13 GMT 2025
Record UNII
BK6L4G6ZLW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-CHLOROBUTYLABIRATERONE [USP IMPURITY]
Preferred Name English
O-CHLOROBUTYLABIRATERONE
Common Name English
PYRIDINE, 3-(3-(4-CHLOROBUTOXY)ANDROSTA-5,16-DIEN-17-YL)-
Systematic Name English
3.BETA.-(4-CHLOROBUTOXY)-17-(PYRIDIN-3-YL)ANDROSTA-5,16-DIENE
Systematic Name English
Code System Code Type Description
CAS
2484719-17-5
Created by admin on Mon Mar 31 23:15:13 GMT 2025 , Edited by admin on Mon Mar 31 23:15:13 GMT 2025
PRIMARY
PUBCHEM
155666649
Created by admin on Mon Mar 31 23:15:13 GMT 2025 , Edited by admin on Mon Mar 31 23:15:13 GMT 2025
PRIMARY PUBCHEM
FDA UNII
BK6L4G6ZLW
Created by admin on Mon Mar 31 23:15:13 GMT 2025 , Edited by admin on Mon Mar 31 23:15:13 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY