META-SULFOOXY-BICTEGRAVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H18F3N3O9S
Molecular Weight	545.4444
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C1C[C@]2([H])C[C@@]1([H])N3[C@@]([H])(Cn4cc(c(=O)c(c4C3=O)O)C(=NCc5c(cc(c(c5F)OS(=O)(=O)O)F)F)O)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	545.4444
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 Jun 26 06:06:10 UTC 2021` Edited by `admin` on `Sat Jun 26 06:06:10 UTC 2021`
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 Jun 26 06:06:10 UTC 2021 , Edited by admin on Sat Jun 26 06:06:10 UTC 2021

PRIMARY

PUBCHEM

FDA UNII

E725MU4HJC

Created by admin on Sat Jun 26 06:06:10 UTC 2021 , Edited by admin on Sat Jun 26 06:06:10 UTC 2021

PRIMARY

CAS

2365156-61-0

Created by admin on Sat Jun 26 06:06:10 UTC 2021 , Edited by admin on Sat Jun 26 06:06:10 UTC 2021

PRIMARY

Related Record Type Details


					8GB79LOJ07

BICTEGRAVIR

PARENT -> METABOLITE

Qualification:

PLASMA; URINE