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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21O5S.K
Molecular Weight 388.52
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM ESTRONE SULFATE

SMILES

[K+].[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OS([O-])(=O)=O)C=C4

InChI

InChIKey=CUQHOFAEIPGLBH-ZFINNJDLSA-M
InChI=1S/C18H22O5S.K/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
POTASSIUM ESTRONE SULFATE
Common Name English
ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-(SULFOOXY)-, POTASSIUM SALT
Common Name English
NSC-18054
Code English
Code System Code Type Description
MESH
C017296
Created by admin on Fri Dec 15 15:16:55 UTC 2023 , Edited by admin on Fri Dec 15 15:16:55 UTC 2023
PRIMARY
DRUG BANK
DBSALT002493
Created by admin on Fri Dec 15 15:16:55 UTC 2023 , Edited by admin on Fri Dec 15 15:16:55 UTC 2023
PRIMARY
PUBCHEM
23674502
Created by admin on Fri Dec 15 15:16:55 UTC 2023 , Edited by admin on Fri Dec 15 15:16:55 UTC 2023
PRIMARY
FDA UNII
C354LET0O4
Created by admin on Fri Dec 15 15:16:55 UTC 2023 , Edited by admin on Fri Dec 15 15:16:55 UTC 2023
PRIMARY
CAS
1240-04-6
Created by admin on Fri Dec 15 15:16:55 UTC 2023 , Edited by admin on Fri Dec 15 15:16:55 UTC 2023
PRIMARY
ECHA (EC/EINECS)
214-985-1
Created by admin on Fri Dec 15 15:16:55 UTC 2023 , Edited by admin on Fri Dec 15 15:16:55 UTC 2023
PRIMARY
NSC
18054
Created by admin on Fri Dec 15 15:16:55 UTC 2023 , Edited by admin on Fri Dec 15 15:16:55 UTC 2023
PRIMARY