GALUNISERTIB MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H19N5O.H2O
Molecular Weight	387.4344
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CC1=CC=CC(=N1)C2=NN3CCCC3=C2C4=C5C=C(C=CC5=NC=C4)C(N)=O

InChI

InChIKey=UZOSBNQFZUJWFP-UHFFFAOYSA-N

InChI=1S/C22H19N5O.H2O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17;/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28);1H2

HIDE SMILES / InChI

Molecular Formula	C22H19N5O
Molecular Weight	369.4192
Charge	0
Count

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

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 15:49:43 UTC 2023` Edited by `admin` on `Fri Dec 15 15:49:43 UTC 2023`
Record UNII	338K210Q5W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GALUNISERTIB MONOHYDRATE

Common Name

English

LY-2157299 MONOHYDRATE

Code

English

Galunisertib monohydrate [WHO-DD]

Common Name

English

6-QUINOLINECARBOXAMIDE, 4-(5,6-DIHYDRO-2-(6-METHYL-2-PYRIDINYL)-4H-PYRROLO(1,2-B)PYRAZOL-3-YL)-, HYDRATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

924898-09-9