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

Approval Year

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 UTC 2023 , Edited by admin on Fri Dec 15 17:09:13 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C95166
Created by admin on Fri Dec 15 17:09:13 UTC 2023 , Edited by admin on Fri Dec 15 17:09:13 UTC 2023
PRIMARY
ECHA (EC/EINECS)
216-901-9
Created by admin on Fri Dec 15 17:09:13 UTC 2023 , Edited by admin on Fri Dec 15 17:09:13 UTC 2023
PRIMARY
PUBCHEM
23691992
Created by admin on Fri Dec 15 17:09:13 UTC 2023 , Edited by admin on Fri Dec 15 17:09:13 UTC 2023
PRIMARY
FDA UNII
550X5X78WK
Created by admin on Fri Dec 15 17:09:13 UTC 2023 , Edited by admin on Fri Dec 15 17:09:13 UTC 2023
PRIMARY
CAS
1694-09-3
Created by admin on Fri Dec 15 17:09:13 UTC 2023 , Edited by admin on Fri Dec 15 17:09:13 UTC 2023
PRIMARY