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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H25F2N3O5
Molecular Weight	509.5013
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

[H][C@]12CN3C=C(C(=O)NCC4=CC=C(F)C=C4F)C(=O)C(OCC5=CC=CC=C5)=C3C(=O)N1[C@H](C)CCO2

InChI

InChIKey=RWEIORQEUUWOLH-ZHRRBRCNSA-N

InChI=1S/C27H25F2N3O5/c1-16-9-10-36-22-14-31-13-20(26(34)30-12-18-7-8-19(28)11-21(18)29)24(33)25(23(31)27(35)32(16)22)37-15-17-5-3-2-4-6-17/h2-8,11,13,16,22H,9-10,12,14-15H2,1H3,(H,30,34)/t16-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H25F2N3O5
Molecular Weight	509.5013
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 17:30:31 UTC 2023` Edited by `admin` on `Sat Dec 16 17:30:31 UTC 2023`
Record UNII	SJ4GZ8739L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

DOLUTEGRAVIR O-BENZYL IMPURITY

Common Name

English

(4R,12AS)-N-((2,4-DIFLUOROPHENYL)METHYL)-3,4,6,8,12,12A-HEXAHYDRO-4-METHYL-6,8-DIOXO-7-(PHENYLMETHOXY)-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-4-METHYL-6,8-DIOXO-7-(PHENYLMETHOXY)-, (4R,12AS)-

Systematic Name

English

Code System Code Type Description

CAS

1206102-11-5

Created by admin on Sat Dec 16 17:30:31 UTC 2023 , Edited by admin on Sat Dec 16 17:30:31 UTC 2023

PRIMARY

PUBCHEM

66554053

Created by admin on Sat Dec 16 17:30:31 UTC 2023 , Edited by admin on Sat Dec 16 17:30:31 UTC 2023

PRIMARY

FDA UNII

SJ4GZ8739L

Created by admin on Sat Dec 16 17:30:31 UTC 2023 , Edited by admin on Sat Dec 16 17:30:31 UTC 2023

PRIMARY

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