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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14N4.H2O4S
Molecular Weight 300.334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLBENZYL 4,5-DIAMINO PYRAZOLE SULFATE

SMILES

OS(O)(=O)=O.CC1=CC=C(CN2N=CC(N)=C2N)C=C1

InChI

InChIKey=DKOOQFYYTJIURT-UHFFFAOYSA-N
InChI=1S/C11H14N4.H2O4S/c1-8-2-4-9(5-3-8)7-15-11(13)10(12)6-14-15;1-5(2,3)4/h2-6H,7,12-13H2,1H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H14N4
Molecular Weight 202.2557
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 Mon Mar 31 20:46:10 GMT 2025
Edited
by admin
on Mon Mar 31 20:46:10 GMT 2025
Record UNII
T60KLL74PP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYLBENZYL 4,5-DIAMINO PYRAZOLE SULFATE
INCI  
INCI  
Official Name English
1H-PYRAZOLE-4,5-DIAMINE, 1-((4-METHYLPHENYL)METHYL)-, SULFATE (2:1)
Preferred Name English
Code System Code Type Description
FDA UNII
T60KLL74PP
Created by admin on Mon Mar 31 20:46:10 GMT 2025 , Edited by admin on Mon Mar 31 20:46:10 GMT 2025
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CAS
173994-77-9
Created by admin on Mon Mar 31 20:46:10 GMT 2025 , Edited by admin on Mon Mar 31 20:46:10 GMT 2025
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EPA CompTox
DTXSID30938448
Created by admin on Mon Mar 31 20:46:10 GMT 2025 , Edited by admin on Mon Mar 31 20:46:10 GMT 2025
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PUBCHEM
22715265
Created by admin on Mon Mar 31 20:46:10 GMT 2025 , Edited by admin on Mon Mar 31 20:46:10 GMT 2025
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