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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H49NO10.C2HF3O2
Molecular Weight 709.7448
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXICODEGOL TRIFLUOROACETATE

SMILES

OC(=O)C(F)(F)F.[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]15CCN(C)[C@]([H])(C4)[C@]5(O)CC[C@@H]2OCCOCCOCCOCCOCCOCCOC

InChI

InChIKey=GOSFHCCPLYIVTB-SZBRMOEGSA-N
InChI=1S/C31H49NO10.C2HF3O2/c1-32-9-8-30-27-23-4-5-24(35-3)28(27)42-29(30)25(6-7-31(30,33)26(32)22-23)41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-34-2;3-2(4,5)1(6)7/h4-5,25-26,29,33H,6-22H2,1-3H3;(H,6,7)/t25-,26+,29-,30-,31+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C31H49NO10
Molecular Weight 595.7215
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C2HF3O2
Molecular Weight 114.0233
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:17:25 UTC 2023
Edited
by admin
on Sat Dec 16 14:17:25 UTC 2023
Record UNII
CWO4OI0Q73
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXICODEGOL TRIFLUOROACETATE
Common Name English
MORPHINAN-14-OL, 4,5-EPOXY-6-(3,6,9,12,15,18-HEXAOXANONADEC-1-YLOXY)-3-METHOXY-17-METHYL-, (5.ALPHA.,6.ALPHA.)-, 2,2,2-TRIFLUOROACETATE (1:1)
Systematic Name English
NKTR-181 TRIFLUOROACETATE
Code English
Code System Code Type Description
PUBCHEM
135391060
Created by admin on Sat Dec 16 14:17:25 UTC 2023 , Edited by admin on Sat Dec 16 14:17:25 UTC 2023
PRIMARY
FDA UNII
CWO4OI0Q73
Created by admin on Sat Dec 16 14:17:25 UTC 2023 , Edited by admin on Sat Dec 16 14:17:25 UTC 2023
PRIMARY
CAS
1211231-85-4
Created by admin on Sat Dec 16 14:17:25 UTC 2023 , Edited by admin on Sat Dec 16 14:17:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE