MIVAVOTINIB CITRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H21FN6O.C6H8O7
Molecular Weight	536.5102
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=C(C=N1)C2=C3C(=O)NCC3=C(F)C(N[C@@H]4CCCC[C@@H]4N)=N2

InChI

InChIKey=ZVPYVZMKBQYKQG-ZVWHLABXSA-N

InChI=1S/C17H21FN6O.C6H8O7/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19;7-3(8)1-6(13,5(11)12)2-4(9)10/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,12+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C17H21FN6O
Molecular Weight	344.3866
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C6H8O7
Molecular Weight	192.1235
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 18:27:39 UTC 2023` Edited by `admin` on `Sat Dec 16 18:27:39 UTC 2023`
Record UNII	6ZJ8V3Q0H1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MIVAVOTINIB CITRATE

Official Name

English

3H-PYRROLO(3,4-C)PYRIDIN-3-ONE, 6-(((1R,2S)-2-AMINOCYCLOHEXYL)AMINO)-7-FLUORO-1,2-DIHYDRO-4-(1-METHYL-1H-PYRAZOL-4-YL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

Systematic Name

English

6-[[(1R,2S)-2-Aminocyclohexyl]amino]-7-fluoro-1,2-dihydro-4-(1-methyl-1H-pyrazol-4-yl)-3H-pyrrolo[3,4-c]pyridin-3-one, 2-hydroxypropane-1,2,3-tricarboxylate (1:1)

Systematic Name

English

6-(((1R,2S)-2-AMINOCYCLOHEXYL)AMINO)-7-FLUORO-4-(1-METHYL-1H-PYRAZOL-4-YL)-1,2-DIHYDRO-3H-PYRROLO(3,4-C)PYRIDIN-3-ONE MONOCITRATE

Systematic Name

English

TAK-659

Code

English

MIVAVOTINIB CITRATE [USAN]

Common Name

English

6-(((1R,2S)-2-AMINOCYCLOHEXYL)AMINO)-7-FLUORO-4-(1-METHYL-1H-PYRAZOL-4-YL)-1,2-DIHYDRO-3H-PYRROLO(3,4-C)PYRIDINE-3-ONE MONOCITRATE

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

671718