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

Details

Stereochemistry RACEMIC
Molecular Formula C23H30N2O.ClH
Molecular Weight 386.958
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=GQIWDGKLQJBQJU-CQERKEQDSA-N
InChI=1S/C23H30N2O.ClH/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;1H/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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:21:02 GMT 2023
Edited
by admin
on Sat Dec 16 10:21:02 GMT 2023
Record UNII
N4DGM87W6N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLFENTANYL HYDROCHLORIDE, TRANS-
Common Name English
NIH-10457
Code English
MCV-4523
Code English
PROPANAMIDE, N-(3-METHYL-1-(2-PHENYLETHYL)-4-PIPERIDINYL)-N-PHENYL-, MONOHYDROCHLORIDE, TRANS-
Common Name English
Code System Code Type Description
FDA UNII
N4DGM87W6N
Created by admin on Sat Dec 16 10:21:02 GMT 2023 , Edited by admin on Sat Dec 16 10:21:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID4048931
Created by admin on Sat Dec 16 10:21:02 GMT 2023 , Edited by admin on Sat Dec 16 10:21:02 GMT 2023
PRIMARY
CAS
78995-09-2
Created by admin on Sat Dec 16 10:21:02 GMT 2023 , Edited by admin on Sat Dec 16 10:21:02 GMT 2023
PRIMARY
PUBCHEM
60196317
Created by admin on Sat Dec 16 10:21:02 GMT 2023 , Edited by admin on Sat Dec 16 10:21:02 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE