HO-PEG5-NALOXOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H43NO9
Molecular Weight	549.653
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=VCZROMAAUMDCHE-BTEQVPEFSA-N

InChI=1S/C29H43NO9/c1-2-8-30-9-7-28-25-21-3-4-22(32)26(25)39-27(28)23(5-6-29(28,33)24(30)20-21)38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-31/h2-4,23-24,27,31-33H,1,5-20H2/t23-,24+,27-,28-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H43NO9
Molecular Weight	549.653
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 `Wed Apr 02 04:59:31 GMT 2025` Edited by `admin` on `Wed Apr 02 04:59:31 GMT 2025`
Record UNII	UN8DF3ZPX5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HO-PEG5-NALOXOL

Common Name

English

NALOXEGOL METABOLITE M7

Preferred Name

English

MORPHINAN-3,14-DIOL, 4,5-EPOXY-6-((14-HYDROXY-3,6,9,12-TETRAOXATETRADEC-1-YL)OXY)-17-(2-PROPEN-1-YL)-, (5.ALPHA.,6.ALPHA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

UN8DF3ZPX5

Created by admin on Wed Apr 02 04:59:31 GMT 2025 , Edited by admin on Wed Apr 02 04:59:31 GMT 2025

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CAS

2194602-15-6

Created by admin on Wed Apr 02 04:59:31 GMT 2025 , Edited by admin on Wed Apr 02 04:59:31 GMT 2025

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PUBCHEM

156596399

Created by admin on Wed Apr 02 04:59:31 GMT 2025 , Edited by admin on Wed Apr 02 04:59:31 GMT 2025

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Related Record Type Details


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NALOXEGOL

PARENT -> METABOLITE

Qualification:

PLASMA; URINE