VIOLET BNP

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 Search

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

Molecular Formula	C41H44N3O6S2
Molecular Weight	738.935
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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:38:19 GMT 2023` Edited by `admin` on `Fri Dec 15 18:38:19 GMT 2023`
Record UNII	UG8B688N57
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VIOLET BNP

Common Name

English

NSC-71963

Code

English

NSC-5019

Code

English

Code System Code Type Description

EPA CompTox

DTXSID1041635