N-DESMETHYL-4-HYDROXYATOMOXETINE-O-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H27NO8
Molecular Weight	433.4517
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-DESMETHYL-4-HYDROXYATOMOXETINE-O-GLUCURONIDE

Structure Search

SMILES

CC1=C(O[C@H](CCN)C2=CC=CC=C2)C=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C1

InChI

InChIKey=OCYYTTFFKJKWEH-ZJICWGJPSA-N

InChI=1S/C22H27NO8/c1-12-11-14(29-22-19(26)17(24)18(25)20(31-22)21(27)28)7-8-15(12)30-16(9-10-23)13-5-3-2-4-6-13/h2-8,11,16-20,22,24-26H,9-10,23H2,1H3,(H,27,28)/t16-,17+,18+,19-,20+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H27NO8
Molecular Weight	433.4517
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 09:09:45 GMT 2023` Edited by `admin` on `Sat Dec 16 09:09:45 GMT 2023`
Record UNII	K7CZE2U76P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYL-4-HYDROXYATOMOXETINE-O-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1R)-3-AMINO-1-PHENYLPROPOXY)-3-METHYLPHENYL

Systematic Name

English

4-HYDROXY-N-DESMETHYL-ATOMOXETINE-O-GLUCURONIDE

Common Name

English

Code System Code Type Description

PUBCHEM

156028033

Created by admin on Sat Dec 16 09:09:45 GMT 2023 , Edited by admin on Sat Dec 16 09:09:45 GMT 2023

PRIMARY

CAS

540729-10-0

Created by admin on Sat Dec 16 09:09:45 GMT 2023 , Edited by admin on Sat Dec 16 09:09:45 GMT 2023

PRIMARY

FDA UNII

K7CZE2U76P

Created by admin on Sat Dec 16 09:09:45 GMT 2023 , Edited by admin on Sat Dec 16 09:09:45 GMT 2023

PRIMARY

Related Record Type Details


					ASW034S0B8

ATOMOXETINE

PARENT -> METABOLITE

Qualification:

URINE

Amount: