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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34O5S2
Molecular Weight 454.643
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.-HYDROXYANDROST-5-EN-17-ONE BIS(CARBOXYMETHYL)MERCAPTOLE

SMILES

[H][C@@]12CCC(SCC(O)=O)(SCC(O)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4C[C@@H](O)CC[C@]34C

InChI

InChIKey=BPKFRRUYPHJVMX-ASOAYHERSA-N
InChI=1S/C23H34O5S2/c1-21-8-5-15(24)11-14(21)3-4-16-17(21)6-9-22(2)18(16)7-10-23(22,29-12-19(25)26)30-13-20(27)28/h3,15-18,24H,4-13H2,1-2H3,(H,25,26)(H,27,28)/t15-,16+,17-,18-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H34O5S2
Molecular Weight 454.643
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 Sat Dec 16 05:11:08 GMT 2023
Edited
by admin
on Sat Dec 16 05:11:08 GMT 2023
Record UNII
EXQ915206O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3.BETA.-HYDROXYANDROST-5-EN-17-ONE BIS(CARBOXYMETHYL)MERCAPTOLE
Common Name English
NSC-45417
Code English
ACETIC ACID, ((3.BETA.-HYDROXYANDROST-5-EN-17-YLIDENE)DITHIO)DI-
Common Name English
((3.BETA.-HYDROXYANDROST-5-EN-17-YLIDENE)DITHIO)DI-ACETIC ACID
Systematic Name English
ANDROST-5-EN-17-ONE, 3.BETA.-HYDROXY-, BIS(CARBOXYMETHYL)MERCAPTOLE
Common Name English
Code System Code Type Description
PUBCHEM
239807
Created by admin on Sat Dec 16 05:11:08 GMT 2023 , Edited by admin on Sat Dec 16 05:11:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID90170882
Created by admin on Sat Dec 16 05:11:08 GMT 2023 , Edited by admin on Sat Dec 16 05:11:08 GMT 2023
PRIMARY
FDA UNII
EXQ915206O
Created by admin on Sat Dec 16 05:11:08 GMT 2023 , Edited by admin on Sat Dec 16 05:11:08 GMT 2023
PRIMARY
NSC
45417
Created by admin on Sat Dec 16 05:11:08 GMT 2023 , Edited by admin on Sat Dec 16 05:11:08 GMT 2023
PRIMARY
CAS
17990-63-5
Created by admin on Sat Dec 16 05:11:08 GMT 2023 , Edited by admin on Sat Dec 16 05:11:08 GMT 2023
PRIMARY