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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22F3NO6S
Molecular Weight 473.463
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-[[(trifluoromethyl)sulfonyl]oxy]morphinan-6-one, (5?)-

SMILES

O[C@]12CCC(=O)[C@@H]3OC4=C5C(C[C@H]1N(CC6CC6)CC[C@@]235)=CC=C4OS(=O)(=O)C(F)(F)F

InChI

InChIKey=QSPGSENWVSPIQZ-XFWGSAIBSA-N
InChI=1S/C21H22F3NO6S/c22-21(23,24)32(28,29)31-14-4-3-12-9-15-20(27)6-5-13(26)18-19(20,16(12)17(14)30-18)7-8-25(15)10-11-1-2-11/h3-4,11,15,18,27H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H22F3NO6S
Molecular Weight 473.463
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:51:56 GMT 2025
Edited
by admin
on Wed Apr 02 20:51:56 GMT 2025
Record UNII
EPM767D8JD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5?)-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-[[(trifluoromethyl)sulfonyl]oxy]morphinan-6-one
Preferred Name English
17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-[[(trifluoromethyl)sulfonyl]oxy]morphinan-6-one, (5?)-
Systematic Name English
Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-[[(trifluoromethyl)sulfonyl]oxy]-, (5?)-
Systematic Name English
Code System Code Type Description
FDA UNII
EPM767D8JD
Created by admin on Wed Apr 02 20:51:56 GMT 2025 , Edited by admin on Wed Apr 02 20:51:56 GMT 2025
PRIMARY
PUBCHEM
15425894
Created by admin on Wed Apr 02 20:51:56 GMT 2025 , Edited by admin on Wed Apr 02 20:51:56 GMT 2025
PRIMARY
CAS
205375-23-1
Created by admin on Wed Apr 02 20:51:56 GMT 2025 , Edited by admin on Wed Apr 02 20:51:56 GMT 2025
PRIMARY