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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H49NO10.H3O4P
Molecular Weight 693.7166
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXYCODEGOL PHOSPHATE

SMILES

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

InChI

InChIKey=HWCYIFAZNWGITM-SZBRMOEGSA-N
InChI=1S/C31H49NO10.H3O4P/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;1-5(2,3)4/h4-5,25-26,29,33H,6-22H2,1-3H3;(H3,1,2,3,4)/t25-,26+,29-,30-,31+;/m0./s1

HIDE SMILES / InChI

Molecular Formula H3O4P
Molecular Weight 97.9952
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:20:06 UTC 2023
Edited
by admin
on Sat Dec 16 14:20:06 UTC 2023
Record UNII
H055GD0X0H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXYCODEGOL PHOSPHATE
USAN  
Official Name English
4,5α-Epoxy-6α-[(2,5,8,11,14,17-hexaoxanonadecan-19-yl)oxy]-3-methoxy-17-methylmorphinan-14-ol phosphate (1:1)
Systematic Name English
OXYCODEGOL PHOSPHATE [USAN]
Common Name English
OXICODEGOL PHOSPHATE
USAN  
Common Name English
NKTR-181 PHOSPHATE
Code 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.)-, PHOSPHATE (1:1)
Systematic Name English
Code System Code Type Description
SMS_ID
300000011147
Created by admin on Sat Dec 16 14:20:06 UTC 2023 , Edited by admin on Sat Dec 16 14:20:06 UTC 2023
PRIMARY
PUBCHEM
73673719
Created by admin on Sat Dec 16 14:20:06 UTC 2023 , Edited by admin on Sat Dec 16 14:20:06 UTC 2023
PRIMARY
USAN
FG-14
Created by admin on Sat Dec 16 14:20:06 UTC 2023 , Edited by admin on Sat Dec 16 14:20:06 UTC 2023
PRIMARY
CAS
1415126-69-0
Created by admin on Sat Dec 16 14:20:06 UTC 2023 , Edited by admin on Sat Dec 16 14:20:06 UTC 2023
PRIMARY
FDA UNII
H055GD0X0H
Created by admin on Sat Dec 16 14:20:06 UTC 2023 , Edited by admin on Sat Dec 16 14:20:06 UTC 2023
PRIMARY
NCI_THESAURUS
C170276
Created by admin on Sat Dec 16 14:20:06 UTC 2023 , Edited by admin on Sat Dec 16 14:20:06 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY