DISODIUM 2-((5-CYANO-2,6-BIS((3-HYDROXYPROPYL)AMINO)-4-METHYL-3-PYRIDINYL)AZO)-5-((2-(SULFOOXY)ETHYL)SULFONYL)BENZENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H26N6O11S3.2Na
Molecular Weight	680.639
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of DISODIUM 2-((5-CYANO-2,6-BIS((3-HYDROXYPROPYL)AMINO)-4-METHYL-3-PYRIDINYL)AZO)-5-((2-(SULFOOXY)ETHYL)SULFONYL)BENZENESULFONATE

Structure Search

SMILES

[Na+].[Na+].CC1=C(\N=N\C2=CC=C(C=C2S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O)C(NCCCO)=NC(NCCCO)=C1C#N

InChI

InChIKey=GNADXOFVVANHCS-YOYNBWDYSA-L

InChI=1S/C21H28N6O11S3.2Na/c1-14-16(13-22)20(23-6-2-8-28)25-21(24-7-3-9-29)19(14)27-26-17-5-4-15(12-18(17)40(32,33)34)39(30,31)11-10-38-41(35,36)37;;/h4-5,12,28-29H,2-3,6-11H2,1H3,(H2,23,24,25)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b27-26+;;

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	C21H26N6O11S3
Molecular Weight	634.66
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:35:51 GMT 2023` Edited by `admin` on `Sat Dec 16 12:35:51 GMT 2023`
Record UNII	WY5DZ68NBN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DISODIUM 2-((5-CYANO-2,6-BIS((3-HYDROXYPROPYL)AMINO)-4-METHYL-3-PYRIDINYL)AZO)-5-((2-(SULFOOXY)ETHYL)SULFONYL)BENZENESULFONATE

Systematic Name

English

2-((5-CYANO-2,6-BIS((3-HYDROXYPROPYL)AMINO)-4-METHYL-3-PYRIDYL)AZO)-5-((2-(SULFOOXY)ETHYL)SULFONYL)BENZENESULFONIC ACID, SODIUM SALT

Common Name

English

Code System Code Type Description

PUBCHEM

44148009