PYRAZOLONE T DISODIUM

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H6N2O6S.2Na
Molecular Weight	328.2105
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PYRAZOLONE T DISODIUM

Structure Search

SMILES

[Na+].[Na+].OC1=CC(=NN1C2=CC=C(C=C2)S([O-])(=O)=O)C([O-])=O

InChI

InChIKey=BZKSGFDVNKLTOV-UHFFFAOYSA-L

InChI=1S/C10H8N2O6S.2Na/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18;;/h1-5,13H,(H,14,15)(H,16,17,18);;/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	C10H6N2O6S
Molecular Weight	282.2309
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 `Mon Mar 31 19:57:40 GMT 2025` Edited by `admin` on `Mon Mar 31 19:57:40 GMT 2025`
Record UNII	Z3ZZJ9O9C1
Record Status	`FAILED`
Record Version

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Name

Type

Language

PYRAZOLONE T DISODIUM

Common Name

English

1H-PYRAZOLE-3-CARBOXYLIC ACID, 4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-, SODIUM SALT (1:2)

Preferred Name

English

DISODIUM 4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE

Systematic Name

English

Code System Code Type Description

CAS

3473-75-4

Created by admin on Mon Mar 31 19:57:40 GMT 2025 , Edited by admin on Mon Mar 31 19:57:40 GMT 2025

PRIMARY

ECHA (EC/EINECS)

222-444-6

Created by admin on Mon Mar 31 19:57:40 GMT 2025 , Edited by admin on Mon Mar 31 19:57:40 GMT 2025

PRIMARY

FDA UNII

Z3ZZJ9O9C1

Created by admin on Mon Mar 31 19:57:40 GMT 2025 , Edited by admin on Mon Mar 31 19:57:40 GMT 2025

PRIMARY

EPA CompTox

DTXSID10188282

Created by admin on Mon Mar 31 19:57:40 GMT 2025 , Edited by admin on Mon Mar 31 19:57:40 GMT 2025

PRIMARY

PUBCHEM

101605106

Created by admin on Mon Mar 31 19:57:40 GMT 2025 , Edited by admin on Mon Mar 31 19:57:40 GMT 2025

PRIMARY

CAS

74758-35-3

Created by admin on Mon Mar 31 19:57:40 GMT 2025 , Edited by admin on Mon Mar 31 19:57:40 GMT 2025

NON-SPECIFIC STOICHIOMETRY

CAS

123197-78-4

Created by admin on Mon Mar 31 19:57:40 GMT 2025 , Edited by admin on Mon Mar 31 19:57:40 GMT 2025

ALTERNATIVE

Related Record Type Details


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