(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

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

Structure Search

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

Molecular Formula	C23H32ClNO9
Molecular Weight	501.954
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 03:36:40 GMT 2025` Edited by `admin` on `Wed Apr 02 03:36:40 GMT 2025`
Record UNII	PZJ8U47GCC
Record Status	`Validated (UNII)`
Record Version

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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

PRIMARY

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

PRIMARY

Related Record Type Details


					4BC83L4PIY

PITOLISANT

PARENT -> METABOLITE INACTIVE

Interaction Type:

MAJOR

Qualification:

PLASMA