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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26N2
Molecular Weight 294.4338
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Despropionyl 3-Methylfentanyl, (3R,4S)-

SMILES

C[C@@H]1CN(CCC2=CC=CC=C2)CC[C@@H]1NC3=CC=CC=C3

InChI

InChIKey=JQELYMOBBRDROY-XLIONFOSSA-N
InChI=1S/C20H26N2/c1-17-16-22(14-12-18-8-4-2-5-9-18)15-13-20(17)21-19-10-6-3-7-11-19/h2-11,17,20-21H,12-16H2,1H3/t17-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H26N2
Molecular Weight 294.4338
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 Sat Dec 16 19:54:46 GMT 2023
Edited
by admin
on Sat Dec 16 19:54:46 GMT 2023
Record UNII
89AB4H5F4B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Despropionyl 3-Methylfentanyl, (3R,4S)-
Common Name English
4-Piperidinamine, 3-methyl-N-phenyl-1-(2-phenylethyl)-, (3R,4S)
Systematic Name English
4-Piperidinamine, 3-methyl-N-phenyl-1-(2-phenylethyl)-, (3R-cis)-
Systematic Name English
Code System Code Type Description
PUBCHEM
92860863
Created by admin on Sat Dec 16 19:54:46 GMT 2023 , Edited by admin on Sat Dec 16 19:54:46 GMT 2023
PRIMARY
CAS
53758-15-9
Created by admin on Sat Dec 16 19:54:46 GMT 2023 , Edited by admin on Sat Dec 16 19:54:46 GMT 2023
PRIMARY
FDA UNII
89AB4H5F4B
Created by admin on Sat Dec 16 19:54:46 GMT 2023 , Edited by admin on Sat Dec 16 19:54:46 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE INACTIVE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
Immediate precursor
ED50