NAZARTINIB MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H31ClN6O2.CH4O3S.3H2O
Molecular Weight	645.168
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.CS(O)(=O)=O.CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)N2C(NC(=O)C3=CC=NC(C)=C3)=NC4=C2C(Cl)=CC=C4

InChI

InChIKey=HCKBCMVQGLVGEA-ZBFDXWMPSA-N

InChI=1S/C26H31ClN6O2.CH4O3S.3H2O/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3;1-5(2,3)4;;;/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35);1H3,(H,2,3,4);3*1H2/b11-7+;;;;/t20-;;;;/m1..../s1

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	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	C26H31ClN6O2
Molecular Weight	495.016
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:55:37 UTC 2023` Edited by `admin` on `Sat Dec 16 07:55:37 UTC 2023`
Record UNII	T0ECU9IJ0N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NAZARTINIB MESYLATE

Official Name

English

NVP-EGF816-AGA

Code

English

NAZARTINIB MESYLATE [USAN]

Common Name

English

N-(7-Chloro-1-{(3R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl}-1H-benzimidazol-2-yl)-2-methylpyridine-4-carboxamide methanesulfonate hydrate (1:1:3)

Systematic Name

English

NAZARTINIB MESYLATE TRIHYDRATE

Common Name

English

EGF-816 MESYLATE TRIHYDRATE

Code

English

4-PYRIDINECARBOXAMIDE, N-(7-CHLORO-1-((3R)-1-((2E)-4-(DIMETHYLAMINO)-1-OXO-2-BUTEN-1-YL)HEXAHYDRO-1H-AZEPIN-3-YL)-1H-BENZIMIDAZOL-2-YL)-2-METHYL-, METHANESULFONATE, HYDRATE (1:1:3)

Systematic Name

English

Code System Code Type Description

CAS

1784778-10-4