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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H40O10S2
Molecular Weight 552.698
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of URSULCHOLIC ACID

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)OS(O)(=O)=O)[C@H](C)CCC(O)=O

InChI

InChIKey=BWXSDJHAJWTEAD-UZVSRGJWSA-N
InChI=1S/C24H40O10S2/c1-14(4-7-21(25)26)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(33-35(27,28)29)12-15(23)13-20(22)34-36(30,31)32/h14-20,22H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1

HIDE SMILES / InChI
PubMed

PubMed

TitleDatePubMed
[Pharmacokinetics and hepatic metabolism of ursulcholic acid (a soluble form of ursodeoxycholic acid in the rat].
1987 Jul
[The pharmacologic activity of ursulcholic acid, a soluble form of ursodeoxycholic acid].
1987 Jul
Name Type Language
URSULCHOLIC ACID
INN  
INN  
Official Name English
3.ALPHA.,7.BETA.-DIHYDROXY-5.BETA.-CHOLAN-24-OIC ACID BIS(HYDROGEN SULFATE)
Common Name English
3.ALPHA.,7.BETA.-DIHYDROXY-5.BETA.-CHOLAN-24-OIC ACID BIS(HYDROGEN SULPHATE)
Common Name English
ursulcholic acid [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66913
Created by admin on Sat Dec 16 16:32:36 GMT 2023 , Edited by admin on Sat Dec 16 16:32:36 GMT 2023
Code System Code Type Description
INN
5532
Created by admin on Sat Dec 16 16:32:36 GMT 2023 , Edited by admin on Sat Dec 16 16:32:36 GMT 2023
PRIMARY
CAS
88426-32-8
Created by admin on Sat Dec 16 16:32:36 GMT 2023 , Edited by admin on Sat Dec 16 16:32:36 GMT 2023
PRIMARY
EVMPD
SUB11390MIG
Created by admin on Sat Dec 16 16:32:36 GMT 2023 , Edited by admin on Sat Dec 16 16:32:36 GMT 2023
PRIMARY
ChEMBL
CHEMBL2107238
Created by admin on Sat Dec 16 16:32:36 GMT 2023 , Edited by admin on Sat Dec 16 16:32:36 GMT 2023
PRIMARY
FDA UNII
AJS8W2AXJH
Created by admin on Sat Dec 16 16:32:36 GMT 2023 , Edited by admin on Sat Dec 16 16:32:36 GMT 2023
PRIMARY
SMS_ID
100000076646
Created by admin on Sat Dec 16 16:32:36 GMT 2023 , Edited by admin on Sat Dec 16 16:32:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID201024714
Created by admin on Sat Dec 16 16:32:36 GMT 2023 , Edited by admin on Sat Dec 16 16:32:36 GMT 2023
PRIMARY
NCI_THESAURUS
C152807
Created by admin on Sat Dec 16 16:32:36 GMT 2023 , Edited by admin on Sat Dec 16 16:32:36 GMT 2023
PRIMARY
PUBCHEM
3086282
Created by admin on Sat Dec 16 16:32:36 GMT 2023 , Edited by admin on Sat Dec 16 16:32:36 GMT 2023
PRIMARY