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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16ClN3O3S.ClH
Molecular Weight 354.253
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DABUZALGRON HYDROCHLORIDE

SMILES

Cl.CC1=C(NS(C)(=O)=O)C(Cl)=CC=C1OCC2=NCCN2

InChI

InChIKey=QFRMKDCRDUXTBR-UHFFFAOYSA-N
InChI=1S/C12H16ClN3O3S.ClH/c1-8-10(19-7-11-14-5-6-15-11)4-3-9(13)12(8)16-20(2,17)18;/h3-4,16H,5-7H2,1-2H3,(H,14,15);1H

HIDE SMILES / InChI

Molecular Formula C12H16ClN3O3S
Molecular Weight 317.792
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 16:36:25 UTC 2023
Edited
by admin
on Fri Dec 15 16:36:25 UTC 2023
Record UNII
A7Q00A39MF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DABUZALGRON HYDROCHLORIDE
USAN  
USAN  
Official Name English
RO-115-1240
Code English
RO115-1240/190
Code English
METHANESULFONAMIDE, N-(6-CHLORO-3-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)METHOXY)-2-METHYLPHENYL)-, MONOHYDROCHLORIDE
Common Name English
N-(6-CHLORO-3-(4,5-DIHYDRO-1-H-IMIDAZOL-2-YLMETHOXY)-2-METHYLPHENYL)METHANESULFONAMIDE HYDROCHLORIDE
Common Name English
DABUZALGRON HCL
Common Name English
DABUZALGRON HYDROCHLORIDE [USAN]
Common Name English
RS-151240-190
Code English
RO-1151240190
Code English
Classification Tree Code System Code
NCI_THESAURUS C29709
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
Code System Code Type Description
SMS_ID
100000184101
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
FDA UNII
A7Q00A39MF
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
ChEMBL
CHEMBL257978
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
PUBCHEM
219093
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
CAS
219311-43-0
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID90176344
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
USAN
PP-84
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
NCI_THESAURUS
C75037
Created by admin on Fri Dec 15 16:36:25 UTC 2023 , Edited by admin on Fri Dec 15 16:36:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY