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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H31NO4
Molecular Weight 361.4751
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TESTOSTERONE 3-(O-(CARBOXYMETHYL)OXIME), (E)-

SMILES

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

InChI

InChIKey=VDYLVWGBLQNNAW-UVTKPVMCSA-N
InChI=1S/C21H31NO4/c1-20-9-7-14(22-26-12-19(24)25)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h11,15-18,23H,3-10,12H2,1-2H3,(H,24,25)/b22-14+/t15-,16-,17-,18-,20-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TESTOSTERONE 3-(O-(CARBOXYMETHYL)OXIME), (E)-
Common Name English
ACETIC ACID, ((((3E,17.BETA.)-17-HYDROXYANDROST-4-EN-3-YLIDENE)AMINO)OXY)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11279905
Created by admin on Sat Dec 16 15:44:11 GMT 2023 , Edited by admin on Sat Dec 16 15:44:11 GMT 2023
PRIMARY
FDA UNII
5LR4L645H2
Created by admin on Sat Dec 16 15:44:11 GMT 2023 , Edited by admin on Sat Dec 16 15:44:11 GMT 2023
PRIMARY
CAS
58116-41-9
Created by admin on Sat Dec 16 15:44:11 GMT 2023 , Edited by admin on Sat Dec 16 15:44:11 GMT 2023
PRIMARY