SITRAVATINIB MALATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H29F2N5O4S.C4H6O5
Molecular Weight	763.764
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H](CC(O)=O)C(O)=O.COCCNCC1=CN=C(C=C1)C2=CC3=NC=CC(OC4=CC=C(NC(=O)C5(CC5)C(=O)NC6=CC=C(F)C=C6)C=C4F)=C3S2

InChI

InChIKey=GDLGZWLGDROYHH-WNQIDUERSA-N

InChI=1S/C33H29F2N5O4S.C4H6O5/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22;5-2(4(8)9)1-3(6)7/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42);2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1

HIDE SMILES / InChI

Molecular Formula	C4H6O5
Molecular Weight	134.0874
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C33H29F2N5O4S
Molecular Weight	629.676
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 10:07:26 UTC 2023` Edited by `admin` on `Sat Dec 16 10:07:26 UTC 2023`
Record UNII	ZR2110H6XE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SITRAVATINIB MALATE

Official Name

English

MGCD516 MALATE SALT

Code

English

SITRAVATINIB L-MALATE

Common Name

English

N-(3-FLUORO-4-(2-(5-((2-METHOXYETHYLAMINO) METHYL) PYRIDIN-2-YL) THIENO (3,2-B) PYRIDIN- 7-YLOXY) PHENYL)-N-(4-FLUOROPHENYL) CYCLOPROPANE-1,1-DICARBOXAMIDE , L-MALATE SALT

Systematic Name

English

N-(3-FLUORO-4-((2-(5-(((2-METHOXYETHYL)AMINO)METHYL)PYRIDIN-2-YL)THIENO(3,2-B)PYRIDIN-7-YL)OXY)PHENYL)-N'-(4-FLUOROPHENYL)CYCLOPROPANE-1,1-DICARBOXAMIDE (2S)-2-HYDROXYBUTANEDIOATE (1:1)

Common Name

English

SITRAVATINIB MALATE [USAN]

Common Name

English

BUTANEDIOIC ACID, 2-HYDROXY-, (2S)-, COMPD. WITH N-(3-FLUORO-4-((2-(5-(((2-METHOXYETHYL)AMINO)METHYL)-2-PYRIDINYL)THIENO(3,2-B)PYRIDIN-7-YL)OXY)PHENYL)-N'-(4-FLUOROPHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE (1:1)

Common Name

English

MGCD-516 MALATE SALT

Code

English

MGCD-516 L-MALATE

Code

English

Code System Code Type Description

CAS

2244864-88-6