DOLUTEGRAVIR SODIUM MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H18F2N3O5.Na.H2O
Molecular Weight	459.3759
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOLUTEGRAVIR SODIUM MONOHYDRATE

Structure Search

SMILES

O.[Na+].[H][C@]12CN3C=C(C(=O)NCC4=CC=C(F)C=C4F)C(=O)C([O-])=C3C(=O)N1[C@H](C)CCO2

InChI

InChIKey=UDYLZWGOPQBQQT-ZSYJTXGQSA-M

InChI=1S/C20H19F2N3O5.Na.H2O/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22;;/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28);;1H2/q;+1;/p-1/t10-,15+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

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

Molecular Formula	C20H19F2N3O5
Molecular Weight	419.3788
Charge	0
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 19:13:48 UTC 2023` Edited by `admin` on `Fri Dec 15 19:13:48 UTC 2023`
Record UNII	0E1T06685X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOLUTEGRAVIR SODIUM MONOHYDRATE

Common Name

English

GSK-1349572A HYDRATE

Code

English

2H-PYRIDO(1',2':4,5)PYRAZINO(2,1-B)(1,3)OXAZINE-9-CARBOXAMIDE, N-((2,4-DIFLUOROPHENYL)METHYL)-3,4,6,8,12,12A-HEXAHYDRO-7-HYDROXY-4-METHYL-6,8-DIOXO-, SODIUM SALT, HYDRATE (1:1:1), (4R,12AS)-

Common Name

English

Code System Code Type Description

CAS

1229006-39-6

Created by admin on Fri Dec 15 19:13:48 UTC 2023 , Edited by admin on Fri Dec 15 19:13:48 UTC 2023

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FDA UNII

0E1T06685X

Created by admin on Fri Dec 15 19:13:48 UTC 2023 , Edited by admin on Fri Dec 15 19:13:48 UTC 2023

PRIMARY

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