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Details

Stereochemistry ACHIRAL
Molecular Formula C17H16N4O5S
Molecular Weight 388.398
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-4-((4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZOYL)AMINO)BENZENESULFONIC ACID

SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C(N)=C3)S(O)(=O)=O

InChI

InChIKey=SFJMKHDOGYSZHA-UHFFFAOYSA-N
InChI=1S/C17H16N4O5S/c1-10-8-16(22)21(20-10)13-5-2-11(3-6-13)17(23)19-12-4-7-15(14(18)9-12)27(24,25)26/h2-7,9H,8,18H2,1H3,(H,19,23)(H,24,25,26)

HIDE SMILES / InChI

Molecular Formula C17H16N4O5S
Molecular Weight 388.398
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 Sat Dec 16 11:49:09 GMT 2023
Edited
by admin
on Sat Dec 16 11:49:09 GMT 2023
Record UNII
82VW0T7ND1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-AMINO-4-((4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZOYL)AMINO)BENZENESULFONIC ACID
Systematic Name English
BENZENESULFONIC ACID, 2-AMINO-4-((4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZOYL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
82VW0T7ND1
Created by admin on Sat Dec 16 11:49:09 GMT 2023 , Edited by admin on Sat Dec 16 11:49:09 GMT 2023
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CAS
85650-65-3
Created by admin on Sat Dec 16 11:49:09 GMT 2023 , Edited by admin on Sat Dec 16 11:49:09 GMT 2023
PRIMARY
PUBCHEM
3020858
Created by admin on Sat Dec 16 11:49:09 GMT 2023 , Edited by admin on Sat Dec 16 11:49:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID80234907
Created by admin on Sat Dec 16 11:49:09 GMT 2023 , Edited by admin on Sat Dec 16 11:49:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
288-074-2
Created by admin on Sat Dec 16 11:49:09 GMT 2023 , Edited by admin on Sat Dec 16 11:49:09 GMT 2023
PRIMARY