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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
PITOLISANT METABOLITE BP1.9733
Common Name English
BP1.9733
Code English
Code System Code Type Description
FDA UNII
PZJ8U47GCC
Created by admin on Sat Dec 16 15:04:20 GMT 2023 , Edited by admin on Sat Dec 16 15:04:20 GMT 2023
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PUBCHEM
156613586
Created by admin on Sat Dec 16 15:04:20 GMT 2023 , Edited by admin on Sat Dec 16 15:04:20 GMT 2023
PRIMARY