U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C24H32N2O
Molecular Weight 364.5237
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=ZPAOSKLOFZWBLS-NFBKMPQASA-N
InChI=1S/C24H32N2O/c1-3-10-24(27)26(22-13-8-5-9-14-22)23-16-18-25(19-20(23)2)17-15-21-11-6-4-7-12-21/h4-9,11-14,20,23H,3,10,15-19H2,1-2H3/t20-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H32N2O
Molecular Weight 364.5237
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
19L357R3FJ
Record Status Validated (UNII)
Record Version