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

Details

Stereochemistry ACHIRAL
Molecular Formula C39H41N3O6S2.Na
Molecular Weight 734.879
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of BENZYL VIOLET

SMILES

[Na+].CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C2=CC=C(C=C2)C(C3=CC=C(C=C3)N(C)C)=C4C=CC(C=C4)=[N+](CC)CC5=CC(=CC=C5)S([O-])(=O)=O

InChI

InChIKey=AXMCIYLNKNGNOT-UHFFFAOYSA-N
InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1

HIDE SMILES / InChI

Description

BENZYL VIOLET had long been used as a food color in some countries including Japan. It had been classified as "possibly carcinogenic to humans" compounds by the International Agency for Research on Cancer (IARC) and by the Japan Society for Occupational Health. It was deleted from the food additives list in Japan in December 1972.

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Induction of mammary gland and skin tumours in female rats by the feeding of benzyl violet 4B.
1974 Sep
Metabolism of triphenylmethane colours II. Absorption, excretion and distribution of Benzyl Violet 4B (FD and C Violet No. 1) in rats.
1977 Jun
Mutagenicity of arylmethane dyes in Salmonella.
1981 May
Development of a method for monitoring personal exposure to benzyl violet 4B and direct blue 15 in workplace air.
2018 Mar 27
Name Type Language
BENZYL VIOLET
II  
Common Name English
BENZENEMETHANAMINIUM, N-(4-((4-(DIMETHYLAMINO)PHENYL)(4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-ETHYL-3-SULFO-, INNER SALT, SODIUM SALT (1:1)
Common Name English
ACID VIOLET 6B
HSDB  
Common Name English
(4-((4-(DIMETHYLAMINO)PHENYL)(4-(ETHYL(3-SULPHONATOBENZYL)AMINO)PHENYL)METHYLENE)CYCLOHEXA-2,5-DIEN- 1-YLIDENE)(ETHYL)(3-SULPHONATOBENZYL)AMMONIUM, SODIUM SALT
Common Name English
BENZYL VIOLET [II]
Common Name English
CI 42640
Common Name English
C.I. ACID VIOLET 49
Common Name English
(4-((4-(DIMETHYLAMINO)PHENYL)(4-(ETHYL(3-SULPHONATOBENZYL)AMINO)PHENYL)METHYLENE)CYCLOHEXA-2,5-DIEN-1-YLIDENE)(ETHYL)(3-SULPHONATOBENZYL)AMMONIUM, SODIUM SALT
Common Name English
FD&C VIOLET NO. 1 (DELISTED)
Common Name English
C.I. 42640
Common Name English
ACID VIOLET 6B [HSDB]
Common Name English
BENZENEMETHANAMINIUM, N-(4-((4-(DIMETHYLAMINO)PHENYL)(4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-ETHYL-3-SULFO-, HYDROXIDE, INNER SALT, SODIUM SALT
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C461
Created by admin on Fri Dec 15 17:09:13 GMT 2023 , Edited by admin on Fri Dec 15 17:09:13 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C95166
Created by admin on Fri Dec 15 17:09:13 GMT 2023 , Edited by admin on Fri Dec 15 17:09:13 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-901-9
Created by admin on Fri Dec 15 17:09:13 GMT 2023 , Edited by admin on Fri Dec 15 17:09:13 GMT 2023
PRIMARY
PUBCHEM
23691992
Created by admin on Fri Dec 15 17:09:13 GMT 2023 , Edited by admin on Fri Dec 15 17:09:13 GMT 2023
PRIMARY
FDA UNII
550X5X78WK
Created by admin on Fri Dec 15 17:09:13 GMT 2023 , Edited by admin on Fri Dec 15 17:09:13 GMT 2023
PRIMARY
CAS
1694-09-3
Created by admin on Fri Dec 15 17:09:13 GMT 2023 , Edited by admin on Fri Dec 15 17:09:13 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of BENZYL VIOLET
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966