SN-5754 TOSYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C36H34N6O4.C7H8O3S
Molecular Weight	786.895
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	2

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CC[N+]2=CC=CC(NC(=O)C3=CC=C(NC(=O)C4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)C(=O)NC6=C[N+](CC)=CC=C6)C=C3)=C2

InChI

InChIKey=YAOFFENGCOYJMV-UHFFFAOYSA-P

InChI=1S/C36H32N6O4.C7H8O3S/c1-3-41-21-5-7-31(23-41)39-35(45)27-13-17-29(18-14-27)37-33(43)25-9-11-26(12-10-25)34(44)38-30-19-15-28(16-20-30)36(46)40-32-8-6-22-42(4-2)24-32;1-6-2-4-7(5-3-6)11(8,9)10/h5-24H,3-4H2,1-2H3,(H2-2,37,38,39,40,43,44,45,46);2-5H,1H3,(H,8,9,10)/p+2

HIDE SMILES / InChI

Molecular Formula	C36H34N6O4
Molecular Weight	614.693
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C7H7O3S
Molecular Weight	171.194
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 16:06:39 GMT 2023` Edited by `admin` on `Fri Dec 15 16:06:39 GMT 2023`
Record UNII	8362HN1M7H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SN-5754 TOSYLATE

Common Name

English

PYRIDINIUM, 3,3'-(TEREPHTHALOYLBIS(IMINO-P-PHENYLENECARBONYLIMINO))BIS(1-ETHYL-, DI-P-TOLUENESULFONATE

Systematic Name

English

NSC-101327

Code

English

PYRIDINIUM, 3,3'-(1,4-PHENYLENEBIS(CARBONYLIMINO-4,1-PHENYLENECARBONYLIMINO))BIS(1-ETHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:2)

Systematic Name

English

Code System Code Type Description

FDA UNII

8362HN1M7H