(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-(2-HYDROXYETHYL)-3-((1R,2R)-2-((PROPANOYLAMINO)METHYL)CYCLOPROPYL)PHENOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H29NO9
Molecular Weight	439.4563
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-(2-HYDROXYETHYL)-3-((1R,2R)-2-((PROPANOYLAMINO)METHYL)CYCLOPROPYL)PHENOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

CCC(=O)NC[C@@H]1C[C@H]1C2=C(CCO)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=CC=C2

InChI

InChIKey=QORKKPJVEPWLKY-ZAYOFSQCSA-N

InChI=1S/C21H29NO9/c1-2-15(24)22-9-10-8-13(10)11-4-3-5-14(12(11)6-7-23)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h3-5,10,13,16-19,21,23,25-27H,2,6-9H2,1H3,(H,22,24)(H,28,29)/t10-,13+,16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H29NO9
Molecular Weight	439.4563
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 00:42:36 GMT 2025` Edited by `admin` on `Wed Apr 02 00:42:36 GMT 2025`
Record UNII	4E33W6K5P4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TASIMELTEON METABOLITE M8

Preferred Name

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-(2-HYDROXYETHYL)-3-((1R,2R)-2-((PROPANOYLAMINO)METHYL)CYCLOPROPYL)PHENOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

156596918

Created by admin on Wed Apr 02 00:42:36 GMT 2025 , Edited by admin on Wed Apr 02 00:42:36 GMT 2025

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FDA UNII

4E33W6K5P4

Created by admin on Wed Apr 02 00:42:36 GMT 2025 , Edited by admin on Wed Apr 02 00:42:36 GMT 2025

PRIMARY

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