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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-

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 C21H28N2OS
Molecular Weight 356.525
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 Mon Mar 31 21:50:51 GMT 2025
Edited
by admin
on Mon Mar 31 21:50:51 GMT 2025
Record UNII
25SM208FOY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIS-N-(1-(2-(2-THIENYL)ETHYL)-3-METHYL-4-PIPERIDYL)-N-PHENYLPROPANAMIDE HYDROCHLORIDE
Preferred Name English
3-METHYLTHIOFENTANYL HYDROCHLORIDE, CIS-
Common Name English
(±)-cis-3-methyl Thiofentanyl hydrochloride
Common Name English
PROPANAMIDE, N-(3-METHYL-1-(2-(2-THIENYL)ETHYL)-4-PIPERIDINYL)-N-PHENYL-, MONOHYDROCHLORIDE, CIS-
Systematic Name English
cis-N-[3-methyl-1-(2-thienyl)ethyl]-4-piperidinyl]-N-phenyl-propanamide monohydrochloride
Common Name English
Code System Code Type Description
PUBCHEM
91864482
Created by admin on Mon Mar 31 21:50:51 GMT 2025 , Edited by admin on Mon Mar 31 21:50:51 GMT 2025
PRIMARY
CAS
131690-45-4
Created by admin on Mon Mar 31 21:50:51 GMT 2025 , Edited by admin on Mon Mar 31 21:50:51 GMT 2025
PRIMARY
FDA UNII
25SM208FOY
Created by admin on Mon Mar 31 21:50:51 GMT 2025 , Edited by admin on Mon Mar 31 21:50:51 GMT 2025
PRIMARY
CAYMAN
22240
Created by admin on Mon Mar 31 21:50:51 GMT 2025 , Edited by admin on Mon Mar 31 21:50:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID9048936
Created by admin on Mon Mar 31 21:50:51 GMT 2025 , Edited by admin on Mon Mar 31 21:50:51 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE