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Details

Stereochemistry ACHIRAL
Molecular Formula 2C10H11ClN4.H2O4S
Molecular Weight 543.427
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-DIAMINO-1-((4-CHLOROPHENYL)METHYL)-1H-PYRAZOLE-SULFATE

SMILES

OS(O)(=O)=O.NC1=C(N)N(CC2=CC=C(Cl)C=C2)N=C1.NC3=C(N)N(CC4=CC=C(Cl)C=C4)N=C3

InChI

InChIKey=MWVYCEZCRWSZKR-UHFFFAOYSA-N
InChI=1S/2C10H11ClN4.H2O4S/c2*11-8-3-1-7(2-4-8)6-15-10(13)9(12)5-14-15;1-5(2,3)4/h2*1-5H,6,12-13H2;(H2,1,2,3,4)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4,5-DIAMINO-1-((4-CHLOROPHENYL)METHYL)-1H-PYRAZOLE-SULFATE
INCI  
INCI  
Official Name English
1H-PYRAZOLE-4,5-DIAMINE, 1-((4-CHLOROPHENYL)METHYL)-, SULFATE (2:1)
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID90892456
Created by admin on Wed Apr 02 18:46:18 GMT 2025 , Edited by admin on Wed Apr 02 18:46:18 GMT 2025
PRIMARY
CAS
163183-00-4
Created by admin on Wed Apr 02 18:46:18 GMT 2025 , Edited by admin on Wed Apr 02 18:46:18 GMT 2025
PRIMARY
PUBCHEM
71587557
Created by admin on Wed Apr 02 18:46:18 GMT 2025 , Edited by admin on Wed Apr 02 18:46:18 GMT 2025
PRIMARY
FDA UNII
777Z83LTZ8
Created by admin on Wed Apr 02 18:46:18 GMT 2025 , Edited by admin on Wed Apr 02 18:46:18 GMT 2025
PRIMARY
NIH
NCATS
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