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Details

Stereochemistry ACHIRAL
Molecular Formula C15H10Cl2N4O5
Molecular Weight 397.17
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES N-OXIDE OPICAPONE METABOLITE

SMILES

CC1=C(Cl)C(C)=C(C2=NOC(=N2)C3=CC(O)=C(O)C(=C3)[N+]([O-])=O)C(Cl)=N1

InChI

InChIKey=QJOAGGIONCIMFQ-UHFFFAOYSA-N
InChI=1S/C15H10Cl2N4O5/c1-5-10(13(17)18-6(2)11(5)16)14-19-15(26-20-14)7-3-8(21(24)25)12(23)9(22)4-7/h3-4,22-23H,1-2H3

HIDE SMILES / InChI

Molecular Formula C15H10Cl2N4O5
Molecular Weight 397.17
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 Sat Dec 16 19:05:38 UTC 2023
Edited
by admin
on Sat Dec 16 19:05:38 UTC 2023
Record UNII
JFX7D7PHA2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES N-OXIDE OPICAPONE METABOLITE
Common Name English
BIA9-1079
Code English
1,2-BENZENEDIOL, 5-(3-(2,5-DICHLORO-4,6-DIMETHYL-3-PYRIDINYL)-1,2,4-OXADIAZOL-5-YL)-3-NITRO-
Systematic Name English
BIA-91079
Code English
BIA91079
Code English
5-(3-(2,5-DICHLORO-4,6-DIMETHYL-3-PYRIDINYL)-1,2,4-OXADIAZOL-5-YL)-3-NITRO-1,2-BENZENEDIOL
Systematic Name English
Code System Code Type Description
CAS
952091-17-7
Created by admin on Sat Dec 16 19:05:38 UTC 2023 , Edited by admin on Sat Dec 16 19:05:38 UTC 2023
PRIMARY
FDA UNII
JFX7D7PHA2
Created by admin on Sat Dec 16 19:05:38 UTC 2023 , Edited by admin on Sat Dec 16 19:05:38 UTC 2023
PRIMARY
PUBCHEM
135814515
Created by admin on Sat Dec 16 19:05:38 UTC 2023 , Edited by admin on Sat Dec 16 19:05:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
MINOR
PLASMA
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC MODERATE FAT/MODERATE CALORIE MEAL

FED CONDITION

Biological Half-life PHARMACOKINETIC
Tmax PHARMACOKINETIC SINGLE DOSE ADMINISTRATION