3-METHYLTHIOFENTANYL HYDROCHLORIDE, CIS-

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H28N2OS.ClH
Molecular Weight	392.986
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHYLTHIOFENTANYL HYDROCHLORIDE, CIS-

Structure Search

SMILES

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

InChI

InChIKey=BZESOWZMHVTLLQ-XLCHORMMSA-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 `Sat Dec 16 08:02:47 GMT 2023` Edited by `admin` on `Sat Dec 16 08:02:47 GMT 2023`
Record UNII	25SM208FOY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-METHYLTHIOFENTANYL HYDROCHLORIDE, CIS-

Common Name

English

CIS-N-(1-(2-(2-THIENYL)ETHYL)-3-METHYL-4-PIPERIDYL)-N-PHENYLPROPANAMIDE HYDROCHLORIDE

Systematic Name

English

PROPANAMIDE, N-(3-METHYL-1-(2-(2-THIENYL)ETHYL)-4-PIPERIDINYL)-N-PHENYL-, MONOHYDROCHLORIDE, CIS-

Systematic Name

English

Code System Code Type Description

PUBCHEM

91864482

Created by admin on Sat Dec 16 08:02:48 GMT 2023 , Edited by admin on Sat Dec 16 08:02:48 GMT 2023

PRIMARY

CAS

131690-45-4

Created by admin on Sat Dec 16 08:02:47 GMT 2023 , Edited by admin on Sat Dec 16 08:02:47 GMT 2023

PRIMARY

FDA UNII

25SM208FOY

Created by admin on Sat Dec 16 08:02:48 GMT 2023 , Edited by admin on Sat Dec 16 08:02:48 GMT 2023

PRIMARY

EPA CompTox

DTXSID9048936

Created by admin on Sat Dec 16 08:02:47 GMT 2023 , Edited by admin on Sat Dec 16 08:02:47 GMT 2023

PRIMARY

Related Record Type Details


					19477K2H61

3-METHYLTHIOFENTANYL, CIS-

PARENT -> SALT/SOLVATE