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

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H49NO12
Molecular Weight 651.7417
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBOXYMETHYL-PEG6-NALOXOL

SMILES

OC(=O)COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3CC4=C5C(O[C@@H]1[C@@]25CCN3CC=C)=C(O)C=C4

InChI

InChIKey=ZGXQBSXFPWSIRM-ZHBJQOOFSA-N
InChI=1S/C33H49NO12/c1-2-8-34-9-7-32-29-24-3-4-25(35)30(29)46-31(32)26(5-6-33(32,38)27(34)22-24)45-21-20-43-17-16-41-13-12-39-10-11-40-14-15-42-18-19-44-23-28(36)37/h2-4,26-27,31,35,38H,1,5-23H2,(H,36,37)/t26-,27+,31-,32-,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H49NO12
Molecular Weight 651.7417
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 Thu Jul 06 20:11:38 UTC 2023
Edited
by admin
on Thu Jul 06 20:11:38 UTC 2023
Record UNII
SVN3WC4C23
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBOXYMETHYL-PEG6-NALOXOL
Common Name English
3,6,9,12,15,18-HEXAOXAEICOSANOIC ACID, 20-(((5.ALPHA.,6.ALPHA.)-4,5-EPOXY-3,14-DIHYDROXY-17-(2-PROPEN-1-YL)MORPHINAN-6-YL)OXY)-
Systematic Name English
NALOXEGOL METABOLITE M4
Common Name English
Code System Code Type Description
PUBCHEM
155929030
Created by admin on Thu Jul 06 20:11:38 UTC 2023 , Edited by admin on Thu Jul 06 20:11:38 UTC 2023
PRIMARY
CAS
2194602-18-9
Created by admin on Thu Jul 06 20:11:38 UTC 2023 , Edited by admin on Thu Jul 06 20:11:38 UTC 2023
PRIMARY
FDA UNII
SVN3WC4C23
Created by admin on Thu Jul 06 20:11:38 UTC 2023 , Edited by admin on Thu Jul 06 20:11:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE