Odentegravir

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H18F3N3O4
Molecular Weight	421.3698
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C2N(C=C(C(=O)NCC3=C(F)C=C(F)C=C3F)C1=O)[C@@H]4CN(CCCC4)C2=O

InChI

InChIKey=XMSYHEQGNQFEEZ-NSHDSACASA-N

InChI=1S/C20H18F3N3O4/c21-10-5-14(22)12(15(23)6-10)7-24-19(29)13-9-26-11-3-1-2-4-25(8-11)20(30)16(26)18(28)17(13)27/h5-6,9,11,28H,1-4,7-8H2,(H,24,29)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H18F3N3O4
Molecular Weight	421.3698
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:13:05 GMT 2025` Edited by `admin` on `Wed Apr 02 11:13:05 GMT 2025`
Record UNII	H8B26JZ4A4
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Odentegravir

Official Name

English

odentegravir [INN]

Preferred Name

English

(7S)-12-hydroxy-1,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,4,5,6,7,11-hexahydro-3H-2,7-methanopyrido[1,2-a][1,4]diazonine-10-carboxamide

Systematic Name

English

3H-2,7-Methanopyrido[1,2-a][1,4]diazonine-10-carboxamide, 1,4,5,6,7,11-hexahydro-12-hydroxy-1,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-, (7S)-

Systematic Name

English

(7S)-1,4,5,6,7,11-Hexahydro-12-hydroxy-1,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-3H-2,7-methanopyrido[1,2-a][1,4]diazonine-10-carboxamide

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C206954