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Details

Stereochemistry RACEMIC
Molecular Formula C16H17N3OS2
Molecular Weight 331.456
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISUPRAZOLE

SMILES

CCSC1=C(C)C(C[S+]([O-])C2=NC3=C(N2)C=CC=C3)=NC=C1

InChI

InChIKey=YWQUFKJVMWHDSN-UHFFFAOYSA-N
InChI=1S/C16H17N3OS2/c1-3-21-15-8-9-17-14(11(15)2)10-22(20)16-18-12-6-4-5-7-13(12)19-16/h4-9H,3,10H2,1-2H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C16H17N3OS2
Molecular Weight 331.456
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:20:40 GMT 2023
Edited
by admin
on Fri Dec 15 16:20:40 GMT 2023
Record UNII
V81J4OO2OT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISUPRAZOLE
INN  
INN  
Official Name English
disuprazole [INN]
Common Name English
2-(((4-(ETHYLTHIO)-3-METHYL-2-PYRIDYL)METHYL)SULFINYL)BENZIMIDAZOLE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29723
Created by admin on Fri Dec 15 16:20:40 GMT 2023 , Edited by admin on Fri Dec 15 16:20:40 GMT 2023
Code System Code Type Description
INN
6026
Created by admin on Fri Dec 15 16:20:40 GMT 2023 , Edited by admin on Fri Dec 15 16:20:40 GMT 2023
PRIMARY
NCI_THESAURUS
C65441
Created by admin on Fri Dec 15 16:20:40 GMT 2023 , Edited by admin on Fri Dec 15 16:20:40 GMT 2023
PRIMARY
PUBCHEM
65861
Created by admin on Fri Dec 15 16:20:40 GMT 2023 , Edited by admin on Fri Dec 15 16:20:40 GMT 2023
PRIMARY
ChEMBL
CHEMBL264214
Created by admin on Fri Dec 15 16:20:40 GMT 2023 , Edited by admin on Fri Dec 15 16:20:40 GMT 2023
PRIMARY
CAS
99499-40-8
Created by admin on Fri Dec 15 16:20:40 GMT 2023 , Edited by admin on Fri Dec 15 16:20:40 GMT 2023
PRIMARY
FDA UNII
V81J4OO2OT
Created by admin on Fri Dec 15 16:20:40 GMT 2023 , Edited by admin on Fri Dec 15 16:20:40 GMT 2023
PRIMARY
SMS_ID
100000081836
Created by admin on Fri Dec 15 16:20:40 GMT 2023 , Edited by admin on Fri Dec 15 16:20:40 GMT 2023
PRIMARY
EVMPD
SUB06327MIG
Created by admin on Fri Dec 15 16:20:40 GMT 2023 , Edited by admin on Fri Dec 15 16:20:40 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY