(2S,3S,4S,5R,6R)-6-(4-((2R)-2-(3-(CYCLOPENTOXY)-4-METHOXY-PHENYL)-2-PHENYL-ETHYL)PYRIDIN-1-IUM-1-YL)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H36NO8
Molecular Weight	550.6194
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6R)-6-(4-((2R)-2-(3-(CYCLOPENTOXY)-4-METHOXY-PHENYL)-2-PHENYL-ETHYL)PYRIDIN-1-IUM-1-YL)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

[H][C@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[N+]2=CC=C(C[C@H](C3=CC=CC=C3)C4=CC=C(OC)C(OC5CCCC5)=C4)C=C2

InChI

InChIKey=VKKJXHWOVDUJCH-IAPQBRSKSA-O

InChI=1S/C31H35NO8/c1-38-24-12-11-21(18-25(24)39-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-32(16-14-19)30-28(35)26(33)27(34)29(40-30)31(36)37/h2-4,7-8,11-16,18,22-23,26-30,33-35H,5-6,9-10,17H2,1H3/p+1/t23-,26+,27+,28-,29+,30-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6R)-6-(4-((2R)-2-(3-(CYCLOPENTOXY)-4-METHOXY-PHENYL)-2-PHENYL-ETHYL)PYRIDIN-1-IUM-1-YL)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

CDP-840 METABOLITE M12

Common Name

English

Code System Code Type Description

PUBCHEM

154733545

Created by admin on Sat Dec 16 17:06:21 GMT 2023 , Edited by admin on Sat Dec 16 17:06:21 GMT 2023

PRIMARY

FDA UNII

XLC5BO9NQK

Created by admin on Sat Dec 16 17:06:21 GMT 2023 , Edited by admin on Sat Dec 16 17:06:21 GMT 2023

PRIMARY

PARENT (METABOLITE)


					OK8OFX8K7F

CDP-840

SUBSTANCE RECORD


					XLC5BO9NQK

(2S,3S,4S,5R,6R)-6-(4-((2R)-2-(3-(CYCLOPENTOXY)-4-METHOXY-PHENYL)-2-PHENYL-ETHYL)PYRIDIN-1-IUM-1-YL)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-CARBOXYLIC ACID