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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H41NO10
Molecular Weight 563.6365
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6,9,12-TETRAOXATETRADECANOIC ACID, 14-(((5.ALPHA.,6.ALPHA.)-4,5-EPOXY-3,14-DIHYDROXY-17-(2-PROPEN-1-YL)MORPHINAN-6-YL)OXY)-

SMILES

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

InChI

InChIKey=WRNQPYNOCLPVAH-IYRMEPLZSA-N
InChI=1S/C29H41NO10/c1-2-8-30-9-7-28-25-20-3-4-21(31)26(25)40-27(28)22(5-6-29(28,34)23(30)18-20)39-17-16-37-13-12-35-10-11-36-14-15-38-19-24(32)33/h2-4,22-23,27,31,34H,1,5-19H2,(H,32,33)/t22-,23+,27-,28-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H41NO10
Molecular Weight 563.6365
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 20:44:55 UTC 2023
Edited
by admin
on Thu Jul 06 20:44:55 UTC 2023
Record UNII
V475ZW9MQR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,6,9,12-TETRAOXATETRADECANOIC ACID, 14-(((5.ALPHA.,6.ALPHA.)-4,5-EPOXY-3,14-DIHYDROXY-17-(2-PROPEN-1-YL)MORPHINAN-6-YL)OXY)-
Systematic Name English
NALOXEGOL METABOLITE M10
Common Name English
CARBOXYMETHYL-PEG4-NALOXOL
Common Name English
Code System Code Type Description
FDA UNII
V475ZW9MQR
Created by admin on Thu Jul 06 20:44:55 UTC 2023 , Edited by admin on Thu Jul 06 20:44:55 UTC 2023
PRIMARY
CAS
2194602-17-8
Created by admin on Thu Jul 06 20:44:55 UTC 2023 , Edited by admin on Thu Jul 06 20:44:55 UTC 2023
PRIMARY
PUBCHEM
156596385
Created by admin on Thu Jul 06 20:44:55 UTC 2023 , Edited by admin on Thu Jul 06 20:44:55 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA; URINE