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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H22N3O4S.Na
Molecular Weight 375.418
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIBUPYRONE

SMILES

[Na+].CC(C)CN(CS([O-])(=O)=O)C1=C(C)N(C)N(C1=O)C2=CC=CC=C2

InChI

InChIKey=CGTMEHPODKVIII-UHFFFAOYSA-M
InChI=1S/C16H23N3O4S.Na/c1-12(2)10-18(11-24(21,22)23)15-13(3)17(4)19(16(15)20)14-8-6-5-7-9-14;/h5-9,12H,10-11H2,1-4H3,(H,21,22,23);/q;+1/p-1

HIDE SMILES / InChI
Name Type Language
DIBUPYRONE
INN  
INN  
Official Name English
SODIUM (ANTIPYRINYLISOBUTYLAMINO)METHANESULPHONATE
Common Name English
SODIUM (ANTIPYRINYLISOBUTYLAMINO)METHANESULFONATE
Common Name English
dibupyrone [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2356
Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023
Code System Code Type Description
SMS_ID
100000082910
Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID90883147
Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023
PRIMARY
PUBCHEM
23663456
Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110642
Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023
PRIMARY
NCI_THESAURUS
C77319
Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023
PRIMARY
INN
2298
Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023
PRIMARY
EVMPD
SUB07079MIG
Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023
PRIMARY
CAS
1046-17-9
Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023
PRIMARY
FDA UNII
T99M8X4T54
Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023
PRIMARY