3,5-DICHLORO-N-(3-(3-OXO-2-((PYRIDIN-3-YL)METHYL)-3H-PYRIDO(2,3-B)PYRAZIN-4-YL)PHENYL)BENZAMIDE MESYLATE DIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H17Cl2N5O2.CH4O3S.2H2O
Molecular Weight	634.488
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,5-DICHLORO-N-(3-(3-OXO-2-((PYRIDIN-3-YL)METHYL)-3H-PYRIDO(2,3-B)PYRAZIN-4-YL)PHENYL)BENZAMIDE MESYLATE DIHYDRATE

Structure Search

SMILES

O.O.CS(O)(=O)=O.ClC1=CC(=CC(Cl)=C1)C(=O)NC2=CC=CC(=C2)N3C(=O)C(CC4=CN=CC=C4)=NC5=C3N=CC=C5

InChI

InChIKey=WLRBPKCUJHYASA-UHFFFAOYSA-N

InChI=1S/C26H17Cl2N5O2.CH4O3S.2H2O/c27-18-11-17(12-19(28)13-18)25(34)31-20-5-1-6-21(14-20)33-24-22(7-3-9-30-24)32-23(26(33)35)10-16-4-2-8-29-15-16;1-5(2,3)4;;/h1-9,11-15H,10H2,(H,31,34);1H3,(H,2,3,4);2*1H2

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C26H17Cl2N5O2
Molecular Weight	502.351
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:54:45 UTC 2023` Edited by `admin` on `Fri Dec 15 15:54:45 UTC 2023`
Record UNII	8PUL42DAGL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,5-DICHLORO-N-(3-(3-OXO-2-((PYRIDIN-3-YL)METHYL)-3H-PYRIDO(2,3-B)PYRAZIN-4-YL)PHENYL)BENZAMIDE MESYLATE DIHYDRATE

Systematic Name

English

BENZAMIDE, 3,5-DICHLORO-N-(3-(3-OXO-2-(3-PYRIDINYLMETHYL)PYRIDO(2,3-B)PYRAZIN-4(3H)-YL)PHENYL)-, METHANESULFONATE, HYDRATE (1:1:2)

Systematic Name

English

Code System Code Type Description

PUBCHEM

131634075

Created by admin on Fri Dec 15 15:54:45 UTC 2023 , Edited by admin on Fri Dec 15 15:54:45 UTC 2023

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FDA UNII

8PUL42DAGL

Created by admin on Fri Dec 15 15:54:45 UTC 2023 , Edited by admin on Fri Dec 15 15:54:45 UTC 2023

PRIMARY

CAS

263159-90-6

Created by admin on Fri Dec 15 15:54:45 UTC 2023 , Edited by admin on Fri Dec 15 15:54:45 UTC 2023

PRIMARY