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
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
| Molecular Formula | C39H40N3O6S2 |
| Molecular Weight | 710.881 |
| 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 |
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
PubMed
| Title | Date | PubMed |
|---|---|---|
| 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 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:09:13 GMT 2023
by
admin
on
Fri Dec 15 17:09:13 GMT 2023
|
| Record UNII |
550X5X78WK
|
| Record Status |
Validated (UNII)
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| Record Version |
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| Classification Tree | Code System | Code | ||
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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
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| Code System | Code | Type | Description | ||
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C95166
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216-901-9
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23691992
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550X5X78WK
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1694-09-3
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admin on Fri Dec 15 17:09:13 GMT 2023 , Edited by admin on Fri Dec 15 17:09:13 GMT 2023
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