(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((4-((1R,2R)-2-((PROPANOYLAMINO)METHYL)CYCLOPROPYL)-2,3-DIHYDROBENZOFURAN-2-YL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	EPIMERIC
Molecular Formula	C21H27NO9
Molecular Weight	437.4404
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

CCC(=O)NC[C@@H]1C[C@H]1C2=C3CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)OC3=CC=C2

InChI

InChIKey=UVSFXCZQTLMIIZ-ZQIXOMFISA-N

InChI=1S/C21H27NO9/c1-2-14(23)22-8-9-6-11(9)10-4-3-5-13-12(10)7-15(29-13)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h3-5,9,11,15-19,21,24-26H,2,6-8H2,1H3,(H,22,23)(H,27,28)/t9-,11+,15?,16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H27NO9
Molecular Weight	437.4404
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:34:40 UTC 2023` Edited by `admin` on `Sat Dec 16 14:34:40 UTC 2023`
Record UNII	KJ8GMM2HWE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((4-((1R,2R)-2-((PROPANOYLAMINO)METHYL)CYCLOPROPYL)-2,3-DIHYDROBENZOFURAN-2-YL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

TASIMELTEON METABOLITE M1

Common Name

English

Code System Code Type Description

PUBCHEM

165411967

Created by admin on Sat Dec 16 14:34:40 UTC 2023 , Edited by admin on Sat Dec 16 14:34:40 UTC 2023

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FDA UNII

KJ8GMM2HWE

Created by admin on Sat Dec 16 14:34:40 UTC 2023 , Edited by admin on Sat Dec 16 14:34:40 UTC 2023

PRIMARY

Related Record Type Details


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TASIMELTEON

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