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 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-METHYLFENTANYL

SMILES

CCC(=O)N(C1CCN(CC(C)C2=CC=CC=C2)CC1)C3=CC=CC=C3

InChI

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

HIDE SMILES / InChI

Molecular Formula C23H30N2O
Molecular Weight 350.4971
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
9658A8O6GK
Record Status Validated (UNII)
Record Version