DOVITINIB LACTATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H21FN6O.C3H6O3.H2O
Molecular Weight	500.5227
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CC(O)C(O)=O.CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(N)C5=C(NC4=O)C=CC=C5F

InChI

InChIKey=QDPVYZNVVQQULH-UHFFFAOYSA-N

InChI=1S/C21H21FN6O.C3H6O3.H2O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6;/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2,4H,1H3,(H,5,6);1H2

HIDE SMILES / InChI

Molecular Formula	C21H21FN6O
Molecular Weight	392.4294
Charge	0
Count

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

Molecular Formula	C3H6O3
Molecular Weight	90.0779
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:08:51 UTC 2023` Edited by `admin` on `Fri Dec 15 16:08:51 UTC 2023`
Record UNII	69VKY8P7EA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOVITINIB LACTATE

Official Name

English

4-Amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one mono 2-hydroxypropanoate hydrate

Systematic Name

English

DOVITINIB LACTATE [USAN]

Common Name

English

CHIR-258 (HYDRATE)

Common Name

English

PROPANOIC ACID, 2-HYDROXY-, COMPD. WITH 4-AMINO-5-FLUORO-3-(6-(4-METHYL-1-PIPERAZINYL)-1H-BENZIMIDAZOL-2-YL)-2(1H)-QUINOLINONE, HYDRATE (1:1:1)

Common Name

English

Dovitinib lactate [WHO-DD]

Common Name

English

DOVITINIB LACTATE HYDRATE [JAN]

Common Name

English

TKI258 (HYDRATE)

Common Name

English

DOVITINIB LACTATE, (±)-

Common Name

English

(±)-DOVITINIB LACTATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1967