3-Methylthiofentanyl hydrochloride, trans-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H28N2OS.ClH
Molecular Weight	392.986
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Methylthiofentanyl hydrochloride, trans-

Structure Search

SMILES

Cl.CCC(=O)N([C@@H]1CCN(CCC2=CC=CS2)C[C@H]1C)C3=CC=CC=C3

InChI

InChIKey=BZESOWZMHVTLLQ-OGPPPPIKSA-N

InChI=1S/C21H28N2OS.ClH/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19;/h4-10,15,17,20H,3,11-14,16H2,1-2H3;1H/t17-,20-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C21H28N2OS
Molecular Weight	356.525
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:47:10 GMT 2025` Edited by `admin` on `Wed Apr 02 19:47:10 GMT 2025`
Record UNII	GF76UZ2X22
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methylthiofentanyl hydrochloride, trans-

Common Name

English

(±)-trans-3-methyl thiofentanyl hydrochloride

Preferred Name

English

trans-N-3-methyl-1-(2-(thiophen-2-yl)ethyl)piperidin-4-yl)-N-phenylpropionamide monohydrochloride

Systematic Name

English

Propanamide, N-[(3R,4R)-3-methyl-1-[2-(2-thienyl)ethyl]-4-piperidinyl]-N-phenyl-, hydrochloride (1:1), rel-

Systematic Name

English

Code System Code Type Description

PUBCHEM

137700030