META-SULFOOXY-BICTEGRAVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H18F3N3O9S
Molecular Weight	545.443
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CN3C=C(C(=O)NCC4=C(F)C(OS(O)(=O)=O)=C(F)C=C4F)C(=O)C(O)=C3C(=O)N1[C@H]5CC[C@H](C5)O2

InChI

InChIKey=PBTULGPFKUXXET-ATEUNZGCSA-N

InChI=1S/C21H18F3N3O9S/c22-12-4-13(23)19(36-37(32,33)34)15(24)10(12)5-25-20(30)11-6-26-7-14-27(8-1-2-9(3-8)35-14)21(31)16(26)18(29)17(11)28/h4,6,8-9,14,29H,1-3,5,7H2,(H,25,30)(H,32,33,34)/t8-,9+,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H18F3N3O9S
Molecular Weight	545.443
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:24:28 GMT 2023` Edited by `admin` on `Sat Dec 16 18:24:28 GMT 2023`
Record UNII	E725MU4HJC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

META-SULFOOXY-BICTEGRAVIR

Common Name

English

SULFATE OF HYDROXY-BICTEGRAVIR

Common Name

English

BICTEGRAVIR METABOLITE M20

Common Name

English

2,5-METHANOPYRIDO(1',2':4,5)PYRAZINO(2,1-B)(1,3)OXAZEPINE-10-CARBOXAMIDE, 2,3,4,5,7,9,13,13A-OCTAHYDRO-8-HYDROXY-7,9-DIOXO-N-((2,4,6-TRIFLUORO-3-(SULFOOXY)PHENYL)METHYL)-, (2R,5S,13AR)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

139337115

Created by admin on Sat Dec 16 18:24:29 GMT 2023 , Edited by admin on Sat Dec 16 18:24:29 GMT 2023

PRIMARY

PUBCHEM

FDA UNII

E725MU4HJC

Created by admin on Sat Dec 16 18:24:29 GMT 2023 , Edited by admin on Sat Dec 16 18:24:29 GMT 2023

PRIMARY

CAS

2365156-61-0

Created by admin on Sat Dec 16 18:24:29 GMT 2023 , Edited by admin on Sat Dec 16 18:24:29 GMT 2023

PRIMARY

Related Record Type Details


					8GB79LOJ07

BICTEGRAVIR

PARENT -> METABOLITE

Qualification:

PLASMA; URINE

Amount: