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Details

Stereochemistry ACHIRAL
Molecular Formula C12H15ClO3
Molecular Weight 242.699
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(3-(4-CHLOROPHENYL)PROPOXY)PROPANOIC ACID

SMILES

OC(=O)CCOCCCC1=CC=C(Cl)C=C1

InChI

InChIKey=HOHWOXUAAQIIPA-UHFFFAOYSA-N
InChI=1S/C12H15ClO3/c13-11-5-3-10(4-6-11)2-1-8-16-9-7-12(14)15/h3-6H,1-2,7-9H2,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C12H15ClO3
Molecular Weight 242.699
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 15:04:19 UTC 2023
Edited
by admin
on Sat Dec 16 15:04:19 UTC 2023
Record UNII
3687ZY9CSY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(3-(4-CHLOROPHENYL)PROPOXY)PROPANOIC ACID
Systematic Name English
PITOLISANT METABOLITE BP1.3484
Common Name English
BP1.3484
Code English
Code System Code Type Description
PUBCHEM
156613838
Created by admin on Sat Dec 16 15:04:19 UTC 2023 , Edited by admin on Sat Dec 16 15:04:19 UTC 2023
PRIMARY
FDA UNII
3687ZY9CSY
Created by admin on Sat Dec 16 15:04:19 UTC 2023 , Edited by admin on Sat Dec 16 15:04:19 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR
PLASMA