(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 `Sat Dec 16 15:04:20 UTC 2023` Edited by `admin` on `Sat Dec 16 15:04:20 UTC 2023`
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

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 UTC 2023 , Edited by admin on Sat Dec 16 15:04:20 UTC 2023

PRIMARY

PUBCHEM

156613586

Created by admin on Sat Dec 16 15:04:20 UTC 2023 , Edited by admin on Sat Dec 16 15:04:20 UTC 2023

PRIMARY

Related Record Type Details


					4BC83L4PIY

PITOLISANT

PARENT -> METABOLITE INACTIVE

Interaction Type:

MAJOR

Qualification:

PLASMA