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Details

Stereochemistry ACHIRAL
Molecular Formula C41H44N3O6S2.Na
Molecular Weight 761.924
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VIOLET BNP

SMILES

[Na+].CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC3=CC=CC(=C3)S([O-])(=O)=O)=C4C=CC(C=C4)=[N+](CC)CC5=CC=CC(=C5)S([O-])(=O)=O

InChI

InChIKey=FJBHGWADYLMEJG-UHFFFAOYSA-M
InChI=1S/C41H45N3O6S2.Na/c1-5-42(6-2)36-21-15-33(16-22-36)41(34-17-23-37(24-18-34)43(7-3)29-31-11-9-13-39(27-31)51(45,46)47)35-19-25-38(26-20-35)44(8-4)30-32-12-10-14-40(28-32)52(48,49)50;/h9-28H,5-8,29-30H2,1-4H3,(H-,45,46,47,48,49,50);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
VIOLET BNP
Common Name English
NSC-71963
Code English
NSC-5019
Code English
Code System Code Type Description
EPA CompTox
DTXSID1041635
Created by admin on Fri Dec 15 18:38:19 GMT 2023 , Edited by admin on Fri Dec 15 18:38:19 GMT 2023
PRIMARY
NSC
71963
Created by admin on Fri Dec 15 18:38:19 GMT 2023 , Edited by admin on Fri Dec 15 18:38:19 GMT 2023
PRIMARY
CAS
4129-84-4
Created by admin on Fri Dec 15 18:38:19 GMT 2023 , Edited by admin on Fri Dec 15 18:38:19 GMT 2023
PRIMARY
FDA UNII
UG8B688N57
Created by admin on Fri Dec 15 18:38:19 GMT 2023 , Edited by admin on Fri Dec 15 18:38:19 GMT 2023
PRIMARY
NSC
5019
Created by admin on Fri Dec 15 18:38:19 GMT 2023 , Edited by admin on Fri Dec 15 18:38:19 GMT 2023
PRIMARY
PUBCHEM
92206
Created by admin on Fri Dec 15 18:38:19 GMT 2023 , Edited by admin on Fri Dec 15 18:38:19 GMT 2023
PRIMARY