Disodium 3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-8-hydroxynaphthalene-1,5-disulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H6ClF2N3O7S2.2Na
Molecular Weight	511.773
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Disodium 3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-8-hydroxynaphthalene-1,5-disulfonate

Structure Search

SMILES

[Na+].[Na+].OC1=CC=C(C2=C1C(=CC(NC3=NC(F)=NC(F)=C3Cl)=C2)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=YXOLLIPXYBOHPC-UHFFFAOYSA-L

InChI=1S/C14H8ClF2N3O7S2.2Na/c15-11-12(16)19-14(17)20-13(11)18-5-3-6-8(28(22,23)24)2-1-7(21)10(6)9(4-5)29(25,26)27;;/h1-4,21H,(H,18,19,20)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula	C14H6ClF2N3O7S2
Molecular Weight	465.793
Charge	-2
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:35:08 GMT 2025` Edited by `admin` on `Tue Apr 01 19:35:08 GMT 2025`
Record UNII	4JD5VXC8EV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,5-Naphthalenedisulfonic acid, 3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-8-hydroxy-, disodium salt

Preferred Name

English

Disodium 3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-8-hydroxynaphthalene-1,5-disulfonate

Systematic Name

English

Code System Code Type Description

FDA UNII

4JD5VXC8EV