3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)PIPERIDINE HYDROCHLORIDE, TRANS-(±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H23NO4.ClH
Molecular Weight	377.862
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)PIPERIDINE HYDROCHLORIDE, TRANS-(±)-

Structure Search

SMILES

Cl.COC1=CC=C(C=C1)[C@@H]2CCNC[C@H]2COC3=CC4=C(OCO4)C=C3

InChI

InChIKey=WGRXGIJCIOCNHB-NKGQWRHHSA-N

InChI=1S/C20H23NO4.ClH/c1-22-16-4-2-14(3-5-16)18-8-9-21-11-15(18)12-23-17-6-7-19-20(10-17)25-13-24-19;/h2-7,10,15,18,21H,8-9,11-13H2,1H3;1H/t15-,18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C20H23NO4
Molecular Weight	341.4009
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:51:14 GMT 2023` Edited by `admin` on `Sat Dec 16 18:51:14 GMT 2023`
Record UNII	ETK9IKM6NH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)PIPERIDINE HYDROCHLORIDE, TRANS-(±)-

Systematic Name

English

PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)-, HYDROCHLORIDE, TRANS-(±)-

Systematic Name

English

PIPERIDINE, 3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)-, HYDROCHLORIDE (1:1), (3R,4S)-REL-

Systematic Name

English

PAROXETINE HYDROCHLORIDE RELATED COMPOUND A [USP-RS]

Common Name

English

Code System Code Type Description

CAS

127017-74-7

Created by admin on Sat Dec 16 18:51:14 GMT 2023 , Edited by admin on Sat Dec 16 18:51:14 GMT 2023

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EPA CompTox

DTXSID10747434

Created by admin on Sat Dec 16 18:51:14 GMT 2023 , Edited by admin on Sat Dec 16 18:51:14 GMT 2023

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FDA UNII

ETK9IKM6NH

Created by admin on Sat Dec 16 18:51:14 GMT 2023 , Edited by admin on Sat Dec 16 18:51:14 GMT 2023

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PUBCHEM

71315281

Created by admin on Sat Dec 16 18:51:14 GMT 2023 , Edited by admin on Sat Dec 16 18:51:14 GMT 2023

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Related Record Type Details


					MS67NW26YG

3-((1,3-BENZODIOXOL-5-YLOXY)METHYL)-4-(4-METHOXYPHENYL)PIPERIDINE HYDROCHLORIDE, TRANS-(-)-

ENANTIOMER -> RACEMATE

Amount: