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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H49NO12
Molecular Weight 651.7429
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBOXYMETHYL-PEG6-NALOXOL

SMILES

C=CCN1CC[C@@]23c4c5ccc(c4O[C@@]3([H])[C@]([H])(CC[C@]2([C@@]1([H])C5)O)OCCOCCOCCOCCOCCOCCOCC(=O)O)O

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 651.7429
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 Fri Jun 25 20:32:39 UTC 2021
Edited
by admin
on Fri Jun 25 20:32:39 UTC 2021
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
CAS
2194602-18-9
Created by admin on Fri Jun 25 20:32:39 UTC 2021 , Edited by admin on Fri Jun 25 20:32:39 UTC 2021
PRIMARY
FDA UNII
SVN3WC4C23
Created by admin on Fri Jun 25 20:32:39 UTC 2021 , Edited by admin on Fri Jun 25 20:32:39 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE