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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H37NO9
Molecular Weight 519.584
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETIC ACID, 2-(2-(2-(2-(((5.ALPHA.,6.ALPHA.)-4,5-EPOXY-3,14-DIHYDROXY-17-(2-PROPEN-1-YL)MORPHINAN-6-YL)OXY)ETHOXY)ETHOXY)ETHOXY)-

SMILES

[H][C@@]12OC3=C(O)C=CC4=C3[C@@]15CCN(CC=C)[C@H](C4)[C@]5(O)CC[C@@H]2OCCOCCOCCOCC(O)=O

InChI

InChIKey=CKIMPNYBEIGDOE-ZVHMEQHSSA-N
InChI=1S/C27H37NO9/c1-2-8-28-9-7-26-23-18-3-4-19(29)24(23)37-25(26)20(5-6-27(26,32)21(28)16-18)36-15-14-34-11-10-33-12-13-35-17-22(30)31/h2-4,20-21,25,29,32H,1,5-17H2,(H,30,31)/t20-,21+,25-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H37NO9
Molecular Weight 519.584
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 20:44:54 UTC 2023
Edited
by admin
on Thu Jul 06 20:44:54 UTC 2023
Record UNII
2ZU68V975P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETIC ACID, 2-(2-(2-(2-(((5.ALPHA.,6.ALPHA.)-4,5-EPOXY-3,14-DIHYDROXY-17-(2-PROPEN-1-YL)MORPHINAN-6-YL)OXY)ETHOXY)ETHOXY)ETHOXY)-
Systematic Name English
CARBOXYMETHYL-PEG3-NALOXOL
Common Name English
NALOXEGOL METABOLITE M12
Common Name English
Code System Code Type Description
FDA UNII
2ZU68V975P
Created by admin on Thu Jul 06 20:44:54 UTC 2023 , Edited by admin on Thu Jul 06 20:44:54 UTC 2023
PRIMARY
CAS
2194602-16-7
Created by admin on Thu Jul 06 20:44:54 UTC 2023 , Edited by admin on Thu Jul 06 20:44:54 UTC 2023
PRIMARY
PUBCHEM
156596519
Created by admin on Thu Jul 06 20:44:54 UTC 2023 , Edited by admin on Thu Jul 06 20:44:54 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; URINE