PYRAZOLONE T

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H8N2O6S
Molecular Weight	284.245
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PYRAZOLONE T

Structure Search

SMILES

OC(=O)C1=NN(C(O)=C1)C2=CC=C(C=C2)S(O)(=O)=O

InChI

InChIKey=FWCFCFWLTZFWFS-UHFFFAOYSA-N

InChI=1S/C10H8N2O6S/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)

HIDE SMILES / InChI

Molecular Formula	C10H8N2O6S
Molecular Weight	284.245
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 14:08:55 GMT 2023` Edited by `admin` on `Sat Dec 16 14:08:55 GMT 2023`
Record UNII	2A9HS5E9L7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PYRAZOLONE T

Common Name

English

5-OXO-1-(P-SULFOPHENYL)-2-PYRAZOLINE-3-CARBOXYLIC ACID

Systematic Name

English

1H-PYRAZOLE-3-CARBOXYLIC ACID, 4,5-DIHYDRO-5-OXO-1-(4-SULFOPHENYL)-

Systematic Name

English

1H-PYRAZOLE-3-CARBOXYLIC ACID, 5-HYDROXY-1-(4-SULFOPHENYL)-

Systematic Name

English

NSC-51118

Code

English

NSC-50665

Code

English

Code System Code Type Description

PUBCHEM

67045

Created by admin on Sat Dec 16 14:08:55 GMT 2023 , Edited by admin on Sat Dec 16 14:08:55 GMT 2023

PRIMARY

CAS

118-47-8

Created by admin on Sat Dec 16 14:08:55 GMT 2023 , Edited by admin on Sat Dec 16 14:08:55 GMT 2023

PRIMARY

FDA UNII

2A9HS5E9L7

Created by admin on Sat Dec 16 14:08:55 GMT 2023 , Edited by admin on Sat Dec 16 14:08:55 GMT 2023

PRIMARY

NSC

50665

Created by admin on Sat Dec 16 14:08:55 GMT 2023 , Edited by admin on Sat Dec 16 14:08:55 GMT 2023

PRIMARY

NSC

51118

Created by admin on Sat Dec 16 14:08:55 GMT 2023 , Edited by admin on Sat Dec 16 14:08:55 GMT 2023

PRIMARY

CAS

21951-33-7

Created by admin on Sat Dec 16 14:08:55 GMT 2023 , Edited by admin on Sat Dec 16 14:08:55 GMT 2023

ALTERNATIVE

EPA CompTox

DTXSID5041273

Created by admin on Sat Dec 16 14:08:55 GMT 2023 , Edited by admin on Sat Dec 16 14:08:55 GMT 2023

PRIMARY

ECHA (EC/EINECS)

204-254-5

Created by admin on Sat Dec 16 14:08:55 GMT 2023 , Edited by admin on Sat Dec 16 14:08:55 GMT 2023

PRIMARY

ECHA (EC/EINECS)

244-677-2

Created by admin on Sat Dec 16 14:08:55 GMT 2023 , Edited by admin on Sat Dec 16 14:08:55 GMT 2023

ALTERNATIVE

Related Record Type Details


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SALT/SOLVATE -> PARENT