5-HYDROXY DULOXETINE .BETA.-D-GLUCURONIDE

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 5-HYDROXY DULOXETINE .BETA.-D-GLUCURONIDE

Structure Search

SMILES

CNCC[C@H](OC1=CC=CC2=C1C=CC=C2O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C4=CC=CS4

InChI

InChIKey=SBOPOYBTKMMGCV-ANUWOGMRSA-N

InChI=1S/C24H27NO8S/c1-25-11-10-17(18-9-4-12-34-18)31-15-7-2-6-14-13(15)5-3-8-16(14)32-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-9,12,17,19-22,24-28H,10-11H2,1H3,(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 `Sat Dec 16 13:30:05 UTC 2023` Edited by `admin` on `Sat Dec 16 13:30:05 UTC 2023`
Record UNII	59622HY2AF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-HYDROXY DULOXETINE .BETA.-D-GLUCURONIDE

Common Name

English

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

Systematic Name

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((5-((1S)-3-(METHYLAMINO)-1-(2-THIENYL)PROPOXY)-1-NAPHTHYL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

154584918

Created by admin on Sat Dec 16 13:30:06 UTC 2023 , Edited by admin on Sat Dec 16 13:30:06 UTC 2023

PRIMARY

CAS

1628416-85-2

Created by admin on Sat Dec 16 13:30:06 UTC 2023 , Edited by admin on Sat Dec 16 13:30:06 UTC 2023

PRIMARY

FDA UNII

59622HY2AF

Created by admin on Sat Dec 16 13:30:06 UTC 2023 , Edited by admin on Sat Dec 16 13:30:06 UTC 2023

PRIMARY

Related Record Type Details


					O5TNM5N07U

DULOXETINE

PARENT -> METABOLITE INACTIVE

Qualification:

URINE