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Details

Stereochemistry RACEMIC
Molecular Formula C22H28N2O
Molecular Weight 336.4705
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOFENTANYL, TRANS-

SMILES

CCC(=O)N([C@@H]1CCN(CC2=CC=CC=C2)C[C@H]1C)C3=CC=CC=C3

InChI

InChIKey=MSAFCEWTMBDBFQ-WIYYLYMNSA-N
InChI=1S/C22H28N2O/c1-3-22(25)24(20-12-8-5-9-13-20)21-14-15-23(16-18(21)2)17-19-10-6-4-7-11-19/h4-13,18,21H,3,14-17H2,1-2H3/t18-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H28N2O
Molecular Weight 336.4705
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 09:15:14 GMT 2025
Edited
by admin
on Wed Apr 02 09:15:14 GMT 2025
Record UNII
N6NP5CCB7G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOFENTANYL, TRANS-
Preferred Name English
Code System Code Type Description
FDA UNII
N6NP5CCB7G
Created by admin on Wed Apr 02 09:15:14 GMT 2025 , Edited by admin on Wed Apr 02 09:15:14 GMT 2025
PRIMARY
CAS
79278-41-4
Created by admin on Wed Apr 02 09:15:14 GMT 2025 , Edited by admin on Wed Apr 02 09:15:14 GMT 2025
PRIMARY
PUBCHEM
124930210
Created by admin on Wed Apr 02 09:15:14 GMT 2025 , Edited by admin on Wed Apr 02 09:15:14 GMT 2025
PRIMARY PUBCHEM
EPA CompTox
DTXSID301036738
Created by admin on Wed Apr 02 09:15:14 GMT 2025 , Edited by admin on Wed Apr 02 09:15:14 GMT 2025
PRIMARY