ISOSULFAN BLUE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H31N2O6S2.Na
Molecular Weight	566.665
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(C=C2)=[N+](CC)CC)C3=C(C=CC(=C3)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=NLUFDZBOHMOBOE-UHFFFAOYSA-M

InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-19-24(36(30,31)32)17-18-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C27H31N2O6S2
Molecular Weight	543.675
Charge	-1
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:25:43 UTC 2023` Edited by `admin` on `Fri Dec 15 16:25:43 UTC 2023`
Record UNII	39N9K8S2A4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOSULFAN BLUE

Official Name

English

SULPHAN BLUE 2,5-DISULFOPHENYL ISOMER

Common Name

English

Isosulfan blue [WHO-DD]

Common Name

English

SULPHAN BLUE 2,5-DISULFOPHENYL ISOMER [MI]

Common Name

English

(4-(.ALPHA.-(P-(DIETHYLAMINO)PHENYL)-2,5-DISULFOBENZYLIDENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)DIETHYLAMMONIUM HYDROXIDE, INNER SALT, SODIUM SALT

Common Name

English

P-1888

Code

English

ISO-SULFAN BLUE

Common Name

English

ETHANAMINIUM, N-(4-((4-(DIETHYLAMINO)PHENYL)(2,5-DISULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-ETHYL-, INNER SALT, SODIUM SALT

Common Name

English

LYMPHAZURIN

Brand Name

English

ISOSULFAN BLUE [ORANGE BOOK]

Common Name

English

SODIUM 2-((4-(DIETHYLAMINO)PHENYL)(4-(DIETHYLIMINIO)CYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL)BENZENE-1,4-DISULPHONATE

Systematic Name

English

NSC-734902

Code

English

P-4125

Code

English

SODIUM 2-((4-(DIETHYLAMINO)PHENYL)(4-(DIETHYLIMINIO)CYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL)BENZENE-1,4-DISULFONATE

Systematic Name

English

ISOSULFAN BLUE [USAN]

Common Name

English

ISOSULFAN BLUE [VANDF]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C461