(2S,3S,4S,5R,6R)-6-(1-(4-(3-(4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)-1-PIPERIDYL)PROPOXY)-3-METHOXY-PHENYL)ETHOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	EPIMERIC
Molecular Formula	C30H37FN2O10
Molecular Weight	604.6206
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-(3-(4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)-1-PIPERIDYL)PROPOXY)-3-METHOXY-PHENYL)ETHOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

COC1=CC(=CC=C1OCCCN2CCC(CC2)C3=NOC4=CC(F)=CC=C34)C(C)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=KKBREPCBKZCNSO-PADXFKBFSA-N

InChI=1S/C30H37FN2O10/c1-16(41-30-27(36)25(34)26(35)28(42-30)29(37)38)18-4-7-21(23(14-18)39-2)40-13-3-10-33-11-8-17(9-12-33)24-20-6-5-19(31)15-22(20)43-32-24/h4-7,14-17,25-28,30,34-36H,3,8-13H2,1-2H3,(H,37,38)/t16?,25-,26-,27+,28-,30+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6R)-6-(1-(4-(3-(4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)-1-PIPERIDYL)PROPOXY)-3-METHOXY-PHENYL)ETHOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

ILOPERIDONE METABOLITE P27.4

Common Name

English

Code System Code Type Description

PUBCHEM

165411996

Created by admin on Sat Dec 16 14:59:47 GMT 2023 , Edited by admin on Sat Dec 16 14:59:47 GMT 2023

PRIMARY

FDA UNII

NCD7YT59QE