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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36O8S2
Molecular Weight 528.679
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-HYDROXY-5.BETA.-PREGNANE-3,11,20-TRIONE, 3-(BIS(CARBOXYMETHYL)MERCAPTOLE)

SMILES

C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4CC(CC[C@]34C)(SCC(O)=O)SCC(O)=O)[C@@H]1CC[C@]2(O)C(=O)CO

InChI

InChIKey=XCBVGXHHEMDZIG-SSYASERTSA-N
InChI=1S/C25H36O8S2/c1-22-7-8-24(34-12-19(29)30,35-13-20(31)32)9-14(22)3-4-15-16-5-6-25(33,18(28)11-26)23(16,2)10-17(27)21(15)22/h14-16,21,26,33H,3-13H2,1-2H3,(H,29,30)(H,31,32)/t14-,15+,16+,21-,22+,23+,25+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17-HYDROXY-5.BETA.-PREGNANE-3,11,20-TRIONE, 3-(BIS(CARBOXYMETHYL)MERCAPTOLE)
Common Name English
NSC-47437
Preferred Name English
5.BETA.-PREGNANE-3,11,20-TRIONE, 17-HYDROXY-, 3-(BIS(CARBOXYMETHYL)MERCAPTOLE)
Common Name English
ACETIC ACID, ((17,21-DIHYDROXY-11,20-DIOXO-5.BETA.-PREGNAN-3-YLIDENE)DITHIO)DI-
Common Name English
((17,21-DIHYDROXY-11,20-DIOXO-5.BETA.-PREGNAN-3-YLIDENE)DITHIO)DI-ACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
L8EQ97A9ZV
Created by admin on Mon Mar 31 21:26:59 GMT 2025 , Edited by admin on Mon Mar 31 21:26:59 GMT 2025
PRIMARY
PUBCHEM
240766
Created by admin on Mon Mar 31 21:26:59 GMT 2025 , Edited by admin on Mon Mar 31 21:26:59 GMT 2025
PRIMARY
NSC
47437
Created by admin on Mon Mar 31 21:26:59 GMT 2025 , Edited by admin on Mon Mar 31 21:26:59 GMT 2025
PRIMARY
CAS
17990-64-6
Created by admin on Mon Mar 31 21:26:59 GMT 2025 , Edited by admin on Mon Mar 31 21:26:59 GMT 2025
PRIMARY