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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

SMILES

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

InChI

InChIKey=MSAFCEWTMBDBFQ-GHTZIAJQSA-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+/m0/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 Thu Jul 06 21:03:42 UTC 2023
Edited
by admin
on Thu Jul 06 21:03:42 UTC 2023
Record UNII
BT57ARH9QX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOFENTANYL
Common Name English
N-(1-BENZYL-3-METHYLPIPERIDIN-4-YL)-N-PHENYLPROPANAMIDE
Systematic Name English
PROPANAMIDE, N-(3-METHYL-1-(PHENYLMETHYL)-4-PIPERIDINYL)-N-PHENYL-, CIS-
Systematic Name English
3-METHYL-BENZYLFENTANYL
Common Name English
N-(3-METHYL-1-(PHENYLMETHYL)-4-PIPERIDINYL)-N-PHENYLPROPANAMIDE
Common Name English
Classification Tree Code System Code
WIKIPEDIA List_of_fentanyl_analogues
Created by admin on Thu Jul 06 21:03:43 UTC 2023 , Edited by admin on Thu Jul 06 21:03:43 UTC 2023
Code System Code Type Description
PUBCHEM
71313860
Created by admin on Thu Jul 06 21:03:43 UTC 2023 , Edited by admin on Thu Jul 06 21:03:43 UTC 2023
PRIMARY
FDA UNII
BT57ARH9QX
Created by admin on Thu Jul 06 21:03:43 UTC 2023 , Edited by admin on Thu Jul 06 21:03:43 UTC 2023
PRIMARY
CAS
42045-84-1
Created by admin on Thu Jul 06 21:03:43 UTC 2023 , Edited by admin on Thu Jul 06 21:03:43 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID00747120
Created by admin on Thu Jul 06 21:03:43 UTC 2023 , Edited by admin on Thu Jul 06 21:03:43 UTC 2023
PRIMARY
WIKIPEDIA
Isofentanyl
Created by admin on Thu Jul 06 21:03:43 UTC 2023 , Edited by admin on Thu Jul 06 21:03:43 UTC 2023
PRIMARY
CAS
79278-40-3
Created by admin on Thu Jul 06 21:03:43 UTC 2023 , Edited by admin on Thu Jul 06 21:03:43 UTC 2023
PRIMARY
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