N-DESMETHYLDULOXETINE-5-.BETA.-D-GLUCOPYRANOSIDURONIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H27NO8S
Molecular Weight	489.538
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-DESMETHYLDULOXETINE-5-.BETA.-D-GLUCOPYRANOSIDURONIC ACID

Structure Search

SMILES

CNCC[C@H](OC1=C2C=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=CC2=CC=C1)C4=CC=CS4

InChI

InChIKey=GRIXJAFEBWYBJE-ANUWOGMRSA-N

InChI=1S/C24H27NO8S/c1-25-10-9-17(18-6-3-11-34-18)32-16-5-2-4-13-12-14(7-8-15(13)16)31-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-8,11-12,17,19-22,24-28H,9-10H2,1H3,(H,29,30)/t17-,19-,20-,21+,22-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H27NO8S
Molecular Weight	489.538
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:52:23 GMT 2025` Edited by `admin` on `Tue Apr 01 21:52:23 GMT 2025`
Record UNII	XE7RH9J8MC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYLDULOXETINE-5-.BETA.-D-GLUCOPYRANOSIDURONIC ACID

Common Name

English

5-((1S)-3-(METHYLAMINO)-1-(2-THIENYL)PROPOXY)-2-NAPHTHALENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Preferred Name

English

Code System Code Type Description

FDA UNII

XE7RH9J8MC

Created by admin on Tue Apr 01 21:52:23 GMT 2025 , Edited by admin on Tue Apr 01 21:52:23 GMT 2025

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EPA CompTox

DTXSID601122207

Created by admin on Tue Apr 01 21:52:23 GMT 2025 , Edited by admin on Tue Apr 01 21:52:23 GMT 2025

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PUBCHEM

70685727

Created by admin on Tue Apr 01 21:52:23 GMT 2025 , Edited by admin on Tue Apr 01 21:52:23 GMT 2025

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CAS

741693-84-5

Created by admin on Tue Apr 01 21:52:23 GMT 2025 , Edited by admin on Tue Apr 01 21:52:23 GMT 2025

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