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Details

Stereochemistry ACHIRAL
Molecular Formula C16H9ClF3N5O3
Molecular Weight 411.723
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZONITRILE, 3-CHLORO-5-((1-((2,5-DIHYDRO-5-OXO-1H-1,2,4-TRIAZOL-3-YL)METHYL)-1,2-DIHYDRO-2-OXO-4-(TRIFLUOROMETHYL)-3-PYRIDINYL)OXY)-

SMILES

FC(F)(F)C1=C(OC2=CC(Cl)=CC(=C2)C#N)C(=O)N(CC3=NNC(=O)N3)C=C1

InChI

InChIKey=UFVUNOWUDOJABB-UHFFFAOYSA-N
InChI=1S/C16H9ClF3N5O3/c17-9-3-8(6-21)4-10(5-9)28-13-11(16(18,19)20)1-2-25(14(13)26)7-12-22-15(27)24-23-12/h1-5H,7H2,(H2,22,23,24,27)

HIDE SMILES / InChI

Molecular Formula C16H9ClF3N5O3
Molecular Weight 411.723
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
3HPG3X2D6A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZONITRILE, 3-CHLORO-5-((1-((2,5-DIHYDRO-5-OXO-1H-1,2,4-TRIAZOL-3-YL)METHYL)-1,2-DIHYDRO-2-OXO-4-(TRIFLUOROMETHYL)-3-PYRIDINYL)OXY)-
Systematic Name English
DORAVIRINE METABOLITE M8
Common Name English
3-CHLORO-5-((2-OXO-1-((5-OXO-1,4-DIHYDRO-1,2,4-TRIAZOL-3-YL)METHYL)-4-(TRIFLUOROMETHYL)-3-PYRIDYL)OXY)BENZONITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
136245093
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
CAS
1338226-05-3
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
FDA UNII
3HPG3X2D6A
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
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