WR-3863 MESYLATE

Details

Stereochemistry	MIXED
Molecular Formula	C28H32Cl2N6.CH4O3S
Molecular Weight	619.606
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0
Stereo Comments	Assumed mixed

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CC(CN1CCN(CC(C)NC2=C3C=CC(Cl)=CC3=NC=C2)CC1)NC4=CC=NC5=C4C=CC(Cl)=C5

InChI

InChIKey=IZWDLFTUIFUDKC-UHFFFAOYSA-N

InChI=1S/C28H32Cl2N6.CH4O3S/c1-19(33-25-7-9-31-27-15-21(29)3-5-23(25)27)17-35-11-13-36(14-12-35)18-20(2)34-26-8-10-32-28-16-22(30)4-6-24(26)28;1-5(2,3)4/h3-10,15-16,19-20H,11-14,17-18H2,1-2H3,(H,31,33)(H,32,34);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C28H32Cl2N6
Molecular Weight	523.5
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:36:00 UTC 2023` Edited by `admin` on `Fri Dec 15 15:36:00 UTC 2023`
Record UNII	CCX4U97PF3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WR-3863 MESYLATE

Code

English

RP-12278 MESYLATE

Code

English

QUINOLINE, 4,4'-(1,4-PIPERAZINEDIYLBIS((1-METHYLETHYLENE)IMINO))BIS(7-CHLORO-, TETRAMETHANESULFONATE BIS((7-CHLORO-4''-QUINOLYL)-2'-AMINOPROPYL)-1,4-PIPERAZINE METHANESULFONATE

Systematic Name

English

Code System Code Type Description

CAS

23256-65-7

Created by admin on Fri Dec 15 15:36:01 UTC 2023 , Edited by admin on Fri Dec 15 15:36:01 UTC 2023

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PUBCHEM

135390996

Created by admin on Fri Dec 15 15:36:01 UTC 2023 , Edited by admin on Fri Dec 15 15:36:01 UTC 2023

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FDA UNII

CCX4U97PF3

Created by admin on Fri Dec 15 15:36:01 UTC 2023 , Edited by admin on Fri Dec 15 15:36:01 UTC 2023

PRIMARY

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