ONRADIVIR MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22F2N6O2.H2O
Molecular Weight	458.4612
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.OC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC3=C(F)C(=NC(=N3)C4=NNC5=NC=C(F)C=C45)C6CC6

InChI

InChIKey=XUXVTSUIFIUZSZ-MJSCHBGXSA-N

InChI=1S/C22H22F2N6O2.H2O/c23-12-7-13-18(29-30-19(13)25-8-12)21-27-17(11-5-6-11)15(24)20(28-21)26-16-10-3-1-9(2-4-10)14(16)22(31)32;/h7-11,14,16H,1-6H2,(H,31,32)(H,25,29,30)(H,26,27,28);1H2/t9?,10?,14-,16-;/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	C22H22F2N6O2
Molecular Weight	440.4459
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 18:09:02 GMT 2023` Edited by `admin` on `Sat Dec 16 18:09:02 GMT 2023`
Record UNII	NZ6PVJ5SD5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ONRADIVIR MONOHYDRATE

Common Name

English

(2S,3S)-3-((6-CYCLOPROPYL-5-FLUORO-2-(5-FLUORO-1H-PYRAZOLO(3,4-B)PYRIDIN-3-YL)PYRIMIDIN-4-YL)AMINO)BICYCLO(2.2.2)OCTANE-2-CARBOXYLIC ACID MONOHYDRATE

Systematic Name

English

BICYCLO(2.2.2)OCTANE-2-CARBOXYLIC ACID, 3-((6-CYCLOPROPYL-5-FLUORO-2-(5-FLUORO-1H-PYRAZOLO(3,4-B)PYRIDIN-3-YL)-4-PYRIMIDINYL)AMINO)-, HYDRATE (1:1), (2S,3S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

NZ6PVJ5SD5

Created by admin on Sat Dec 16 18:09:02 GMT 2023 , Edited by admin on Sat Dec 16 18:09:02 GMT 2023

PRIMARY

CAS

2375241-19-1

Created by admin on Sat Dec 16 18:09:02 GMT 2023 , Edited by admin on Sat Dec 16 18:09:02 GMT 2023

PRIMARY

PUBCHEM

162623503

Created by admin on Sat Dec 16 18:09:02 GMT 2023 , Edited by admin on Sat Dec 16 18:09:02 GMT 2023

PRIMARY

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