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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H28N2O4S
Molecular Weight 416.534
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAFENTANIL

SMILES

COCC(=O)N(C1=CC=CC=C1)C2(CCN(CCC3=CC=CS3)CC2)C(=O)OC

InChI

InChIKey=HFRKHTCPWUOGHM-UHFFFAOYSA-N
InChI=1S/C22H28N2O4S/c1-27-17-20(25)24(18-7-4-3-5-8-18)22(21(26)28-2)11-14-23(15-12-22)13-10-19-9-6-16-29-19/h3-9,16H,10-15,17H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C22H28N2O4S
Molecular Weight 416.534
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
HS2D307FGT
Record Status Validated (UNII)
Record Version