GSK-2798745 HYDRATE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H28N6O3.H2O
Molecular Weight	478.5435
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CC(C)(O)C1=NC=C(N=C1)N2C[C@@]3(CCC[C@](C)(CN4C=NC5=C4C=C(C=C5)C#N)C3)OC2=O

InChI

InChIKey=OQQMLUFQKLWXNB-DKIIUIKKSA-N

InChI=1S/C25H28N6O3.H2O/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30;/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3;1H2/t24-,25-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula	C25H28N6O3
Molecular Weight	460.5282
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:41:57 GMT 2023` Edited by `admin` on `Sat Dec 16 18:41:57 GMT 2023`
Record UNII	JA6HK3XJM5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GSK-2798745 HYDRATE

Common Name

English

1-(((5S,7S)-3-(5-(2-HYDROXYPROPAN-2-YL)PYRAZIN-2-YL)-7-METHYL-2-OXO-1-OXA-3-AZASPIRO[4.5]DECAN-7-YL)METHYL)-1H-BENZO[D]IMIDAZOLE-6-CARBONITRILE HYDRATE

Common Name

English

Code System Code Type Description

PUBCHEM

142449207

Created by admin on Sat Dec 16 18:41:57 GMT 2023 , Edited by admin on Sat Dec 16 18:41:57 GMT 2023

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FDA UNII

JA6HK3XJM5

Created by admin on Sat Dec 16 18:41:57 GMT 2023 , Edited by admin on Sat Dec 16 18:41:57 GMT 2023

PRIMARY

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