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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H15NO3S
Molecular Weight 253.317
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VANITIOLIDE

SMILES

COC1=C(O)C=CC(=C1)C(=S)N2CCOCC2

InChI

InChIKey=WQYRHRAZNNRDIA-UHFFFAOYSA-N
InChI=1S/C12H15NO3S/c1-15-11-8-9(2-3-10(11)14)12(17)13-4-6-16-7-5-13/h2-3,8,14H,4-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H15NO3S
Molecular Weight 253.317
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
[Effect of choleretics on biliary excretion of cholesterol and bile acids in the rat].
1973 Sep-Oct
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:41:58 GMT 2023
Edited
by admin
on Sat Dec 16 17:41:58 GMT 2023
Record UNII
26Y8H6WPAW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VANITIOLIDE
INN   MI  
INN  
Official Name English
VANITIOLIDE [MI]
Common Name English
NSC-406669
Code English
vanitiolide [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66913
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
Code System Code Type Description
PUBCHEM
72146
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
PRIMARY
NSC
406669
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
PRIMARY
NCI_THESAURUS
C74234
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
PRIMARY
FDA UNII
26Y8H6WPAW
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
PRIMARY
INN
2407
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
PRIMARY
EVMPD
SUB00022MIG
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
PRIMARY
CAS
17692-71-6
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
PRIMARY
MERCK INDEX
m522
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
PRIMARY Merck Index
SMS_ID
100000079052
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
PRIMARY
ChEMBL
CHEMBL1380480
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID4046107
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
241-690-5
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
PRIMARY
DRUG CENTRAL
3847
Created by admin on Sat Dec 16 17:41:58 GMT 2023 , Edited by admin on Sat Dec 16 17:41:58 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY