U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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, CIS-

SMILES

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

InChI

InChIKey=MLQRZXNZHAOCHQ-KNQAVFIVSA-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+/m1/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

Substance Class Chemical
Created
by admin
on Thu Jul 06 15:11:24 UTC 2023
Edited
by admin
on Thu Jul 06 15:11:24 UTC 2023
Record UNII
9M8WAZ5Y3E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLFENTANYL, CIS-
Common Name English
PROPANAMIDE, N-((3R,4S)-3-METHYL-1-(2-PHENYLETHYL)-4-PIPERIDINYL)-N-PHENYL-, REL-
Common Name English
(±)-CIS-3-METHYLFENTANYL
Common Name English
PROPANAMIDE, N-(3-METHYL-1-(2-PHENYLETHYL)-4-PIPERIDINYL)-N-PHENYL-, CIS-
Common Name English
CIS-3-METHYLFENTANYL
Common Name English
REL-N-((3R,4S)-3-METHYL-1-(2-PHENYLETHYL)-4-PIPERIDINYL)-N-PHENYLPROPANAMIDE
Common Name English
Code System Code Type Description
FDA UNII
9M8WAZ5Y3E
Created by admin on Thu Jul 06 15:11:24 UTC 2023 , Edited by admin on Thu Jul 06 15:11:24 UTC 2023
PRIMARY
CAS
78995-19-4
Created by admin on Thu Jul 06 15:11:24 UTC 2023 , Edited by admin on Thu Jul 06 15:11:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID80273957
Created by admin on Thu Jul 06 15:11:24 UTC 2023 , Edited by admin on Thu Jul 06 15:11:24 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
EC50
TARGET -> AGONIST
Mouse hot plate test. 1516 times more potent than morphine.
ED50
TARGET -> AGONIST
BINDING
Ki
Related Record Type Details
METABOLITE INACTIVE -> PARENT
Related Record Type Details
ACTIVE MOIETY