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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

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 Thu Jul 06 20:36:30 UTC 2023
Edited
by admin
on Thu Jul 06 20:36:30 UTC 2023
Record UNII
68YY6J2MH4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
DORAVIRINE METABOLITE M9
Common Name English
Code System Code Type Description
FDA UNII
68YY6J2MH4
Created by admin on Thu Jul 06 20:36:30 UTC 2023 , Edited by admin on Thu Jul 06 20:36:30 UTC 2023
PRIMARY
PUBCHEM
156613627
Created by admin on Thu Jul 06 20:36:30 UTC 2023 , Edited by admin on Thu Jul 06 20:36:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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.
MAJOR