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Details

Stereochemistry ACHIRAL
Molecular Formula C17H22ClN3O4
Molecular Weight 367.827
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DESMETHYL PRUCALOPRIDE ACID

SMILES

NC1=C2CCOC2=C(C=C1Cl)C(=O)NC3CCN(CCC(O)=O)CC3

InChI

InChIKey=HWWVYQZHHKFHHS-UHFFFAOYSA-N
InChI=1S/C17H22ClN3O4/c18-13-9-12(16-11(15(13)19)4-8-25-16)17(24)20-10-1-5-21(6-2-10)7-3-14(22)23/h9-10H,1-8,19H2,(H,20,24)(H,22,23)

HIDE SMILES / InChI

Molecular Formula C17H22ClN3O4
Molecular Weight 367.827
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 05:16:34 UTC 2019
Edited
by admin
on Tue Oct 22 05:16:34 UTC 2019
Record UNII
HTJ7LWU0OZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DESMETHYL PRUCALOPRIDE ACID
Common Name English
PRUCALOPRIDE METABOLITE (O-DESMETHYL PRUCALOPRIDE ACID)
Common Name English
R-107504
Code English
3-(4-((4-AMINO-5-CHLORO-2,3-DIHYDROBENZOFURAN-7-CARBONYL)AMINO)-1-PIPERIDYL)PROPANOIC ACID
Systematic Name English
Related Record Type Details
PARENT -> METABOLITE
Seven metabolites were recovered in urine and feces, with the most abundant metabolite R107504 (O-desmethyl prucalopride acid) accounting for 3.2% and 3.1% of the dose in urine and feces, respectively.
FECAL; URINE