N-DESMETHYL-4-HYDROXYATOMOXETINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H19NO2
Molecular Weight	257.3276
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-DESMETHYL-4-HYDROXYATOMOXETINE

Structure Search

SMILES

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

InChI

InChIKey=RDBXJTRXTFVOGY-MRXNPFEDSA-N

InChI=1S/C16H19NO2/c1-12-11-14(18)7-8-15(12)19-16(9-10-17)13-5-3-2-4-6-13/h2-8,11,16,18H,9-10,17H2,1H3/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H19NO2
Molecular Weight	257.3276
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:23:19 GMT 2025` Edited by `admin` on `Wed Apr 02 11:23:19 GMT 2025`
Record UNII	84KQ4VAL6M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYL-4-HYDROXYATOMOXETINE

Common Name

English

4-HYDROXY-N-DESMETHYLATOMOXETINE

Preferred Name

English

PHENOL, 4-((1R)-3-AMINO-1-PHENYLPROPOXY)-3-METHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20202403

Created by admin on Wed Apr 02 11:23:19 GMT 2025 , Edited by admin on Wed Apr 02 11:23:19 GMT 2025

PRIMARY

FDA UNII

84KQ4VAL6M

Created by admin on Wed Apr 02 11:23:19 GMT 2025 , Edited by admin on Wed Apr 02 11:23:19 GMT 2025

PRIMARY

PUBCHEM

68400313

Created by admin on Wed Apr 02 11:23:19 GMT 2025 , Edited by admin on Wed Apr 02 11:23:19 GMT 2025

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CAS

540729-12-2

Created by admin on Wed Apr 02 11:23:19 GMT 2025 , Edited by admin on Wed Apr 02 11:23:19 GMT 2025

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Related Record Type Details


					ASW034S0B8

ATOMOXETINE

PARENT -> METABOLITE

Qualification:

URINE

Amount: