DOLUTEGRAVIR S,R ISOMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19F2N3O5
Molecular Weight	419.3788
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=C(F)C=C4F)C(=O)C(O)=C3C(=O)N1[C@@H](C)CCO2

InChI

InChIKey=RHWKPHLQXYSBKR-ZUZCIYMTSA-N

InChI=1S/C20H19F2N3O5/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)/t10-,15+/m0/s1

HIDE SMILES / InChI

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:02:08 GMT 2023` Edited by `admin` on `Sat Dec 16 18:02:08 GMT 2023`
Record UNII	S3BN9Q9EHW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOLUTEGRAVIR S,R ISOMER

Common Name

English

(4S,12AR)-N-((2,4-DIFLUOROPHENYL)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

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-, (4S,12AR)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

66594067

Created by admin on Sat Dec 16 18:02:08 GMT 2023 , Edited by admin on Sat Dec 16 18:02:08 GMT 2023

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FDA UNII

S3BN9Q9EHW

Created by admin on Sat Dec 16 18:02:08 GMT 2023 , Edited by admin on Sat Dec 16 18:02:08 GMT 2023

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CAS

1309560-49-3

Created by admin on Sat Dec 16 18:02:08 GMT 2023 , Edited by admin on Sat Dec 16 18:02:08 GMT 2023

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