Disodium 3-(3-Methyl-5-oxo-2H-pyrazol-1(5H)-yl)naphthalene-1,5-disulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H10N2O7S2.2Na
Molecular Weight	428.348
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Disodium 3-(3-Methyl-5-oxo-2H-pyrazol-1(5H)-yl)naphthalene-1,5-disulfonate

Structure Search

SMILES

[Na+].[Na+].CC1=NN(C(=O)C1)C2=CC3=C(C=CC=C3S([O-])(=O)=O)C(=C2)S([O-])(=O)=O

InChI

InChIKey=ZOUVOHLOSLFXHU-UHFFFAOYSA-L

InChI=1S/C14H12N2O7S2.2Na/c1-8-5-14(17)16(15-8)9-6-11-10(13(7-9)25(21,22)23)3-2-4-12(11)24(18,19)20;;/h2-4,6-7H,5H2,1H3,(H,18,19,20)(H,21,22,23);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C14H10N2O7S2
Molecular Weight	382.368
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 `Wed Apr 02 17:23:35 GMT 2025` Edited by `admin` on `Wed Apr 02 17:23:35 GMT 2025`
Record UNII	KL4JRP9XU8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Disodium 3-(3-Methyl-5-oxo-2H-pyrazol-1(5H)-yl)naphthalene-1,5-disulfonate

Systematic Name

English

1,5-Naphthalenedisulfonic acid, 3-(3-methyl-5-oxo-2-pyrazolin-1-yl)-, disodium salt

Preferred Name

English

1,5-Naphthalenedisulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)

Common Name

English

Code System Code Type Description

CAS

16698-14-9

Created by admin on Wed Apr 02 17:23:35 GMT 2025 , Edited by admin on Wed Apr 02 17:23:35 GMT 2025

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FDA UNII

KL4JRP9XU8

Created by admin on Wed Apr 02 17:23:35 GMT 2025 , Edited by admin on Wed Apr 02 17:23:35 GMT 2025

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Related Record Type Details


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3-(3-Methyl-5-oxo-2H-pyrazol-1(5H)-yl)naphthalene-1,5-disulfonic acid

PARENT -> SALT/SOLVATE

Amount: