4-DEFLUORO DOLUTEGRAVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H20FN3O5
Molecular Weight	401.3883
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CN3C=C(C(=O)NCC4=CC=CC=C4F)C(=O)C(O)=C3C(=O)N1[C@H](C)CCO2

InChI

InChIKey=XBOHLWYCZARIPT-ABAIWWIYSA-N

InChI=1S/C20H20FN3O5/c1-11-6-7-29-15-10-23-9-13(17(25)18(26)16(23)20(28)24(11)15)19(27)22-8-12-4-2-3-5-14(12)21/h2-5,9,11,15,26H,6-8,10H2,1H3,(H,22,27)/t11-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H20FN3O5
Molecular Weight	401.3883
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 17:56:54 UTC 2023` Edited by `admin` on `Sat Dec 16 17:56:54 UTC 2023`
Record UNII	29LH9LED64
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-DEFLUORO DOLUTEGRAVIR

Common Name

English

2-FLUORO DOLUTEGRAVIR

Common Name

English

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

Systematic Name

English

DOLUTEGRAVIR 4-DESFLUORO IMPURITY

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

29LH9LED64

Created by admin on Sat Dec 16 17:56:54 UTC 2023 , Edited by admin on Sat Dec 16 17:56:54 UTC 2023

PRIMARY

PUBCHEM

155491163

Created by admin on Sat Dec 16 17:56:54 UTC 2023 , Edited by admin on Sat Dec 16 17:56:54 UTC 2023

PRIMARY

PUBCHEM

CAS

1863916-87-3

Created by admin on Sat Dec 16 17:56:54 UTC 2023 , Edited by admin on Sat Dec 16 17:56:54 UTC 2023

PRIMARY

Related Record Type Details


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DOLUTEGRAVIR SODIUM

PARENT -> IMPURITY