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Details

Stereochemistry RACEMIC
Molecular Formula C22H28N2O.ClH
Molecular Weight 372.931
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isofentanyl hydrochloride, (±)-cis-

SMILES

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

InChI

InChIKey=LXCCVDBJSUYJDN-OZYANKIXSA-N
InChI=1S/C22H28N2O.ClH/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;1H/t18-,21+;/m0./s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(±)-cis-Isofentanyl hydrochloride
Preferred Name English
Isofentanyl hydrochloride, (±)-cis-
Common Name English
cis-N-[3-methyl-1-(phenylmethyl)-4-piperidinyl]-N-phenyl-propanamide,monohydrochloride
Systematic Name English
Propanamide, N-[3-methyl-1-(phenylmethyl)-4-piperidinyl]-N-phenyl-, monohydrochloride, cis-
Systematic Name English
Code System Code Type Description
PUBCHEM
137700437
Created by admin on Wed Apr 02 21:09:45 GMT 2025 , Edited by admin on Wed Apr 02 21:09:45 GMT 2025
PRIMARY
FDA UNII
LE9K27LY6Q
Created by admin on Wed Apr 02 21:09:45 GMT 2025 , Edited by admin on Wed Apr 02 21:09:45 GMT 2025
PRIMARY
CAS
79278-68-5
Created by admin on Wed Apr 02 21:09:45 GMT 2025 , Edited by admin on Wed Apr 02 21:09:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID201037107
Created by admin on Wed Apr 02 21:09:45 GMT 2025 , Edited by admin on Wed Apr 02 21:09:45 GMT 2025
PRIMARY
ACTIVE MOIETY
Structure of ISOFENTANYL
NIH
NCATS
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