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Details

Stereochemistry RACEMIC
Molecular Formula C23H30N2O
Molecular Weight 350.4971
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLFENTANYL, TRANS-

SMILES

CCC(=O)N([C@H]1CCN(CCC2=CC=CC=C2)C[C@@H]1C)C3=CC=CC=C3

InChI

InChIKey=MLQRZXNZHAOCHQ-UGKGYDQZSA-N
InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22-/m0/s1

HIDE SMILES / InChI
Molecular Formula C23H30N2O
Molecular Weight 350.4971
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:23:57 GMT 2025
Edited
by admin
on Mon Mar 31 23:23:57 GMT 2025
Record UNII
4399175D8N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
R-18140
Preferred Name English
3-METHYLFENTANYL, TRANS-
Common Name English
PROPANAMIDE, N-((3R,4R)-3-METHYL-1-(2-PHENYLETHYL)-4-PIPERIDINYL)-N-PHENYL-, REL-
Common Name English
TRANS-3-METHYLFENTANYL
Common Name English
REL-N-((3R,4R)-3-METHYL-1-(2-PHENYLETHYL)-4-PIPERIDINYL)-N-PHENYLPROPANAMIDE
Common Name English
(±)-trans-3-methyl Fentanyl
Common Name English
PROPANAMIDE, N-(3-METHYL-1-(2-PHENYLETHYL)-4-PIPERIDINYL)-N-PHENYL-, TRANS-
Common Name English
Code System Code Type Description
FDA UNII
4399175D8N
Created by admin on Mon Mar 31 23:23:57 GMT 2025 , Edited by admin on Mon Mar 31 23:23:57 GMT 2025
PRIMARY
CAS
78995-17-2
Created by admin on Mon Mar 31 23:23:57 GMT 2025 , Edited by admin on Mon Mar 31 23:23:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID40273958
Created by admin on Mon Mar 31 23:23:57 GMT 2025 , Edited by admin on Mon Mar 31 23:23:57 GMT 2025
PRIMARY
Related Record Type Details
Structure of 3-METHYLFENTANYL HYDROCHLORIDE, TRANS-
SALT/SOLVATE -> PARENT
MU-TYPE OPIOID RECEPTOR
TARGET -> AGONIST
EC50
MU-TYPE OPIOID RECEPTOR
TARGET -> AGONIST
ED50
MU-TYPE OPIOID RECEPTOR
TARGET -> AGONIST
BINDING
Ki
NIH
NCATS
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