PATENT BLUE V

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C27H31N2O7S2.Ca
Molecular Weight	1159.426
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(C=C2)=[N+](CC)CC)C3=C(C=C(C(O)=C3)S([O-])(=O)=O)S([O-])(=O)=O.CCN(CC)C4=CC=C(C=C4)C(=C5C=CC(C=C5)=[N+](CC)CC)C6=C(C=C(C(O)=C6)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=RTMBGDBBDQKNNZ-UHFFFAOYSA-L

InChI=1S/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	C27H31N2O7S2
Molecular Weight	559.674
Charge	-1
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:54:03 UTC 2023` Edited by `admin` on `Fri Dec 15 18:54:03 UTC 2023`
Record UNII	8QE473DV1Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PATENT BLUE V

Common Name

English

NSC-75430

Code

English

C.I. ACID BLUE 3

Common Name

English

CI (1975) NO. 42051

Code

English

ACID BLUE 3

Official Name

English

INS NO.131

Code

English

ACID BLUE 3 [INCI]

Common Name

English

C.I. FOOD BLUE 5

Common Name

English

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

Common Name

English

VITASYN PATENT BLUE V 85

Brand Name

English

COGILOR BLUE 517.11

Brand Name

English

VITASYN PATENT BLUE V 50

Brand Name

English

Patent blue v ci 42051 e131 [WHO-DD]

Common Name

English

NSC-5010

Code

English

BLUE ZN 3

Common Name

English

PATENT BLUE V (E 131)

Common Name

English

DAI-EI ACID PURE BLUE VX

Brand Name

English

ACIDAL CARMINE V

Common Name

English

PATENT BLUE 5

Common Name

English

CI FOOD BLUE 5

Common Name

English

ARIAVIT PATENT BLUE V

Brand Name

English

INS-131

Code

English

E-131

Code

English

PATENT BLUE V [MART.]

Common Name

English

PATENT BLUE V [FCC]

Common Name

English

C.I. ACID BLUE 3, CALCIUM SALT (2:1)

Common Name

English

ETHANAMINIUM, N-(4-((4-(DIETHYLAMINO)PHENYL)(5-HYDROXY-2,4-DISULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-ETHYL-, HYDROXIDE, INNER SALT, CALCIUM SALT (2:1)

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

INS-131