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Details

Stereochemistry RACEMIC
Molecular Formula C21H28N2OS
Molecular Weight 356.525
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLTHIOFENTANYL, CIS-

SMILES

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

InChI

InChIKey=SRARDYUHGVMEQI-XLIONFOSSA-N
InChI=1S/C21H28N2OS/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/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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:53:10 GMT 2023
Edited
by admin
on Sat Dec 16 01:53:10 GMT 2023
Record UNII
19477K2H61
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLTHIOFENTANYL, CIS-
Common Name English
PROPANAMIDE, N-((3R,4S)-3-METHYL-1-(2-(2-THIENYL)ETHYL)-4-PIPERIDINYL)-N-PHENYL-, REL-
Systematic Name English
PROPANAMIDE, N-(3-METHYL-1-(2-(2-THIENYL)ETHYL)-4-PIPERIDINYL)-N-PHENYL-, CIS-
Systematic Name English
Code System Code Type Description
FDA UNII
19477K2H61
Created by admin on Sat Dec 16 01:53:10 GMT 2023 , Edited by admin on Sat Dec 16 01:53:10 GMT 2023
PRIMARY
PUBCHEM
91864483
Created by admin on Sat Dec 16 01:53:10 GMT 2023 , Edited by admin on Sat Dec 16 01:53:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID101036770
Created by admin on Sat Dec 16 01:53:10 GMT 2023 , Edited by admin on Sat Dec 16 01:53:10 GMT 2023
PRIMARY
CAS
742029-96-5
Created by admin on Sat Dec 16 01:53:10 GMT 2023 , Edited by admin on Sat Dec 16 01:53:10 GMT 2023
PRIMARY
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