Momelotinib dihydrochloride monohydrate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H22N6O2.2ClH.H2O
Molecular Weight	505.397
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Momelotinib dihydrochloride monohydrate

Structure Search

SMILES

O.Cl.Cl.O=C(NCC#N)C1=CC=C(C=C1)C2=NC(NC3=CC=C(C=C3)N4CCOCC4)=NC=C2

InChI

InChIKey=RQKCPSIFARJBOR-UHFFFAOYSA-N

InChI=1S/C23H22N6O2.2ClH.H2O/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29;;;/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28);2*1H;1H2

HIDE SMILES / InChI

Molecular Formula	C23H22N6O2
Molecular Weight	414.4598
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:54:41 UTC 2023` Edited by `admin` on `Sat Dec 16 18:54:41 UTC 2023`
Record UNII	LDX8893L5D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Momelotinib dihydrochloride monohydrate

Common Name

English

CYT-387 DIHYDROCHLORIDE MONOHYDRATE

Code

English

MOMELOTINIB HYDROCHLORIDE HYDRATE

Common Name

English

Benzamide, N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]-, hydrochloride, hydrate (1:2:1)

Systematic Name

English

CYT-11387 DIHYDROCHLORIDE MONOHYDRATE

Code

English

MOMELOTINIB HYDROCHLORIDE HYDRATE [JAN]

Common Name

English

OJJAARA

Brand Name

English

Code System Code Type Description

PUBCHEM

102514733