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Details

Stereochemistry UNKNOWN
Molecular Formula C23H32ClNO9
Molecular Weight 501.954
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6R)-6-(1-(4-CHLOROPHENYL)-3-(3-(2-OXO-1-PIPERIDYL)PROPOXY)PROPOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(CCOCCCN2CCCCC2=O)C3=CC=C(Cl)C=C3)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=QJZNKJKCUVEMPH-XKNZTYMWSA-N
InChI=1S/C23H32ClNO9/c24-15-7-5-14(6-8-15)16(9-13-32-12-3-11-25-10-2-1-4-17(25)26)33-23-20(29)18(27)19(28)21(34-23)22(30)31/h5-8,16,18-21,23,27-29H,1-4,9-13H2,(H,30,31)/t16?,18-,19-,20+,21-,23+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2S,3S,4S,5R,6R)-6-(1-(4-CHLOROPHENYL)-3-(3-(2-OXO-1-PIPERIDYL)PROPOXY)PROPOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
BP1.9733
Preferred Name English
PITOLISANT METABOLITE BP1.9733
Common Name English
Code System Code Type Description
FDA UNII
PZJ8U47GCC
Created by admin on Wed Apr 02 03:36:40 GMT 2025 , Edited by admin on Wed Apr 02 03:36:40 GMT 2025
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PUBCHEM
156613586
Created by admin on Wed Apr 02 03:36:40 GMT 2025 , Edited by admin on Wed Apr 02 03:36:40 GMT 2025
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