3-CHLORO-5-((1-((4-METHYL-3,5-DIOXO-1,2,4-TRIAZOLIDIN-1-YL)METHYL)-2-OXO-4-(TRIFLUOROMETHYL)-3-PYRIDYL)OXY)BENZONITRILE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H11ClF3N5O4
Molecular Weight	441.749
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-CHLORO-5-((1-((4-METHYL-3,5-DIOXO-1,2,4-TRIAZOLIDIN-1-YL)METHYL)-2-OXO-4-(TRIFLUOROMETHYL)-3-PYRIDYL)OXY)BENZONITRILE

Structure Search

SMILES

CN1C(=O)NN(CN2C=CC(=C(OC3=CC(=CC(Cl)=C3)C#N)C2=O)C(F)(F)F)C1=O

InChI

InChIKey=ASRRTCGVOYDHBZ-UHFFFAOYSA-N

InChI=1S/C17H11ClF3N5O4/c1-24-15(28)23-26(16(24)29)8-25-3-2-12(17(19,20)21)13(14(25)27)30-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,23,28)

HIDE SMILES / InChI

Molecular Formula	C17H11ClF3N5O4
Molecular Weight	441.749
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 03:14:31 GMT 2025` Edited by `admin` on `Wed Apr 02 03:14:31 GMT 2025`
Record UNII	68YY6J2MH4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DORAVIRINE METABOLITE M9

Preferred Name

English

3-CHLORO-5-((1-((4-METHYL-3,5-DIOXO-1,2,4-TRIAZOLIDIN-1-YL)METHYL)-2-OXO-4-(TRIFLUOROMETHYL)-3-PYRIDYL)OXY)BENZONITRILE

Systematic Name

English

Code System Code Type Description

FDA UNII

68YY6J2MH4

Created by admin on Wed Apr 02 03:14:31 GMT 2025 , Edited by admin on Wed Apr 02 03:14:31 GMT 2025

PRIMARY

PUBCHEM

156613627

Created by admin on Wed Apr 02 03:14:31 GMT 2025 , Edited by admin on Wed Apr 02 03:14:31 GMT 2025

PRIMARY

Related Record Type Details


					913P6LK81M

DORAVIRINE

PARENT -> METABOLITE

Comments:

M9 is the primary metabolite resulting from DOR via CYP3A metabolism in humans. Co-administration of rifabutin (a CYP3A inducer) with DOR, may result in increased M9 exposure.

Interaction Type:

MAJOR

Amount: