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Details

Stereochemistry ACHIRAL
Molecular Formula C10H7N3O6S.2Na
Molecular Weight 343.224
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM 1-(4-AMINO-2-SULFONATOPHENYL)-4,5-DIHYDRO-5-OXO-1H-PYRAZOLE-3-CARBOXYLATE

SMILES

[Na+].[Na+].NC1=CC=C(N2N=C(CC2=O)C([O-])=O)C(=C1)S([O-])(=O)=O

InChI

InChIKey=VCXXGDQXGMEADB-UHFFFAOYSA-L
InChI=1S/C10H9N3O6S.2Na/c11-5-1-2-7(8(3-5)20(17,18)19)13-9(14)4-6(12-13)10(15)16;;/h1-3H,4,11H2,(H,15,16)(H,17,18,19);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H7N3O6S
Molecular Weight 297.244
Charge -2
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 Sat Dec 16 12:21:10 GMT 2023
Edited
by admin
on Sat Dec 16 12:21:10 GMT 2023
Record UNII
Q71D3C9357
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISODIUM 1-(4-AMINO-2-SULFONATOPHENYL)-4,5-DIHYDRO-5-OXO-1H-PYRAZOLE-3-CARBOXYLATE
Systematic Name English
1H-PYRAZOLE-3-CARBOXYLIC ACID, 1-(4-AMINO-2-SULFOPHENYL)-4,5-DIHYDRO-5-OXO-, DISODIUM SALT
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10240879
Created by admin on Sat Dec 16 12:21:11 GMT 2023 , Edited by admin on Sat Dec 16 12:21:11 GMT 2023
PRIMARY
CAS
94159-56-5
Created by admin on Sat Dec 16 12:21:11 GMT 2023 , Edited by admin on Sat Dec 16 12:21:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
303-237-0
Created by admin on Sat Dec 16 12:21:11 GMT 2023 , Edited by admin on Sat Dec 16 12:21:11 GMT 2023
PRIMARY
PUBCHEM
11971312
Created by admin on Sat Dec 16 12:21:11 GMT 2023 , Edited by admin on Sat Dec 16 12:21:11 GMT 2023
PRIMARY
FDA UNII
Q71D3C9357
Created by admin on Sat Dec 16 12:21:11 GMT 2023 , Edited by admin on Sat Dec 16 12:21:11 GMT 2023
PRIMARY