U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of PATENT BLUE V

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

Approval Year

Name Type Language
PATENT BLUE V
FCC   MART.  
Common Name English
NSC-75430
Code English
C.I. ACID BLUE 3
Common Name English
CI (1975) NO. 42051
Code English
ACID BLUE 3
INCI  
INCI  
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
Created by admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
Code System Code Type Description
FDA UNII
8QE473DV1Z
Created by admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID00873918
Created by admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
PRIMARY
WIKIPEDIA
Patent Blue V
Created by admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
PRIMARY
SMS_ID
100000124131
Created by admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
PRIMARY
NSC
75430
Created by admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
PRIMARY
PUBCHEM
77073
Created by admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
PRIMARY
DRUG BANK
DBSALT002674
Created by admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
PRIMARY
CAS
3536-49-0
Created by admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-573-8
Created by admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
PRIMARY
DAILYMED
8QE473DV1Z
Created by admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
PRIMARY
NSC
5010
Created by admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
PRIMARY
EVMPD
SUB31533
Created by admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
PRIMARY