U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H29ClO3
Molecular Weight 352.895
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-CHLORO-11.BETA.-HYDROXY-17-METHYLTESTOSTERONE

SMILES

[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]3(Cl)[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=VRTQRHLAZBBCKG-RBZZARIASA-N
InChI=1S/C20H29ClO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H29ClO3
Molecular Weight 352.895
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 Fri Dec 15 15:01:57 GMT 2023
Edited
by admin
on Fri Dec 15 15:01:57 GMT 2023
Record UNII
P31QOX0217
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-CHLORO-11.BETA.-HYDROXY-17-METHYLTESTOSTERONE
Common Name English
ANDROST-4-EN-3-ONE, 9-CHLORO-11.BETA.,17.BETA.-DIHYDROXY-17-METHYL-
Common Name English
NSC-36092
Code English
ANDROST-4-EN-3-ONE, 9-CHLORO-11,17-DIHYDROXY-17-METHYL-, (11.BETA.,17.BETA.)-
Common Name English
Code System Code Type Description
PUBCHEM
235091
Created by admin on Fri Dec 15 15:01:57 GMT 2023 , Edited by admin on Fri Dec 15 15:01:57 GMT 2023
PRIMARY
NSC
36092
Created by admin on Fri Dec 15 15:01:57 GMT 2023 , Edited by admin on Fri Dec 15 15:01:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID30991295
Created by admin on Fri Dec 15 15:01:57 GMT 2023 , Edited by admin on Fri Dec 15 15:01:57 GMT 2023
PRIMARY
FDA UNII
P31QOX0217
Created by admin on Fri Dec 15 15:01:57 GMT 2023 , Edited by admin on Fri Dec 15 15:01:57 GMT 2023
PRIMARY
CAS
7100-40-5
Created by admin on Fri Dec 15 15:01:57 GMT 2023 , Edited by admin on Fri Dec 15 15:01:57 GMT 2023
PRIMARY