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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H33FN2O10
Molecular Weight	576.5674
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

COC1=CC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC=C1OCCCN3CCC(CC3)C4=NOC5=C4C=CC(F)=C5

InChI

InChIKey=GRWROUFDOQOYCG-NLMMERCGSA-N

InChI=1S/C28H33FN2O10/c1-37-21-14-17(39-28-25(34)23(32)24(33)26(40-28)27(35)36)4-6-19(21)38-12-2-9-31-10-7-15(8-11-31)22-18-5-3-16(29)13-20(18)41-30-22/h3-6,13-15,23-26,28,32-34H,2,7-12H2,1H3,(H,35,36)/t23-,24-,25+,26-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H33FN2O10
Molecular Weight	576.5674
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:04:39 GMT 2025` Edited by `admin` on `Wed Apr 02 05:04:39 GMT 2025`
Record UNII	1U818GW17W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

ILOPERIDONE METABOLITE P24.5

Preferred Name

English

Code System Code Type Description

FDA UNII

1U818GW17W

Created by admin on Wed Apr 02 05:04:39 GMT 2025 , Edited by admin on Wed Apr 02 05:04:39 GMT 2025

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PUBCHEM

139593470

Created by admin on Wed Apr 02 05:04:39 GMT 2025 , Edited by admin on Wed Apr 02 05:04:39 GMT 2025

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