FAMITINIB L-MALATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H27FN4O2.C4H6O5
Molecular Weight	544.5719
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H](CC(O)=O)C(O)=O.CCN(CC)CCN1CCC2=C(C(C)=C(N2)\C=C3/C(=O)NC4=C3C=C(F)C=C4)C1=O

InChI

InChIKey=JNDRBKCNKMZANY-QLTVYZEUSA-N

InChI=1S/C23H27FN4O2.C4H6O5/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29;5-2(4(8)9)1-3(6)7/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29);2,5H,1H2,(H,6,7)(H,8,9)/b17-13-;/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	C23H27FN4O2
Molecular Weight	410.4845
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:04:48 UTC 2023` Edited by `admin` on `Sat Dec 16 14:04:48 UTC 2023`
Record UNII	4RST0F28MR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FAMITINIB L-MALATE

Common Name

English

BUTANEDIOIC ACID, 2-HYDROXY-, (2S)-, COMPD. WITH 5-(2-(DIETHYLAMINO)ETHYL)-2-((Z)-(5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL)-1,5,6,7-TETRAHYDRO-3-METHYL-4H-PYRROLO(3,2-C)PYRIDIN-4-ONE (1:1)

Systematic Name

English

FAMITINIB MALATE

Common Name

English

Code System Code Type Description

PUBCHEM

49840531