ILGINATINIB MALEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20FN7.C4H4O4
Molecular Weight	505.501
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.C[C@H](NC1=NC(NC2=NC=CN=C2)=CC(=C1)C3=CN(C)N=C3)C4=CC=C(F)C=C4

InChI

InChIKey=OVAGJAAQMBYZDS-FXSDFHGDSA-N

InChI=1S/C21H20FN7.C4H4O4/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21;5-3(6)1-2-4(7)8/h3-14H,1-2H3,(H2,24,26,27,28);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C21H20FN7
Molecular Weight	389.4288
Charge	0
Count

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

Molecular Formula	C4H4O4
Molecular Weight	116.0722
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 11:12:30 UTC 2023` Edited by `admin` on `Sat Dec 16 11:12:30 UTC 2023`
Record UNII	8P0KTT2T1Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ILGINATINIB MALEATE

Common Name

English

NS-018 MALEATE

Common Name

English

N-[(1S)-1-(4- fluorophenyl)ethyl]-4-(1-methyl-1H-pyrazol-4-yl)-N'-(pyrazin-2-yl)pyridine-2,6-diamine maleate

Systematic Name

English

2,6-PYRIDINEDIAMINE, N2-((1S)-1-(4-FLUOROPHENYL)ETHYL)-4-(1-METHYL-1H-PYRAZOL-4-YL)-N6-2-PYRAZINYL-, (2Z)-2-BUTENEDIOATE (1:1)

Systematic Name

English

(S)-N-(1-(4-FLUOROPHENYL)ETHYL)-4-(1-METHYL-1H-PYRAZOL-4-YL)-N'-(PYRAZIN-2-YL)PYRIDINE-2,6-DIAMINE MALEATE

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

916522