NALOXEGOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H53NO11
Molecular Weight	651.7847
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NALOXEGOL

Structure Search

SMILES

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

InChI

InChIKey=XNKCCCKFOQNXKV-ZRSCBOBOSA-N

InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H53NO11
Molecular Weight	651.7847
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 `Sat Dec 16 01:53:21 UTC 2023` Edited by `admin` on `Sat Dec 16 01:53:21 UTC 2023`
Record UNII	44T7335BKE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NALOXEGOL

Official Name

English

NALOXEGOL [USAN]

Common Name

English

AZ-13337019

Code

English

NALOXEGOL [NFLIS-DRUG]

Common Name

English

NKTR-118

Code

English

Naloxegol [WHO-DD]

Common Name

English

MORPHINAN-3,14-DIOL, 4,5-EPOXY-6-(3,6,9,12,15,18,21-HEPTAOXADOCOS-1-YLOXY)-17-(2-PROPEN-1-YL)-, (5.ALPHA.,6.ALPHA.)-

Systematic Name

English

4,5.ALPHA.-EPOXY-6.ALPHA.-((3,6,7,12,15,18,21-HEPTAOXADOCOSYL)OXY)-17-(PROP-2-ENYL)MORPHINAN-3,14-DIOL

Systematic Name

English

NALOXEGOL [MI]

Common Name

English

naloxegol [INN]

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000175691

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

WHO-VATC

QA06AH03

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

WHO-ATC

A06AH03

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

NCI_THESAURUS

C681

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

Code System Code Type Description

DRUG CENTRAL

4832

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

EPA CompTox

DTXSID80234684

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

CAS

854601-70-0

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

SMS_ID

100000152160

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

RXCUI

1551777

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

RxNorm

CHEBI

82975

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

ChEMBL

CHEMBL2219418

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

HSDB

8338

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

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MERCK INDEX

m11770

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

INN

9434

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

DAILYMED

44T7335BKE

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

USAN

ZZ-128

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

NCI_THESAURUS

C97506

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

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LACTMED

Naloxegol

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

DRUG BANK

DB09049

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

EVMPD

SUB126723

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

FDA UNII

44T7335BKE

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

WIKIPEDIA

NALOXEGOL

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

PUBCHEM

56959087

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

IUPHAR

7539

Created by admin on Sat Dec 16 01:53:22 UTC 2023 , Edited by admin on Sat Dec 16 01:53:22 UTC 2023

PRIMARY

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CYTOCHROME P450 2D6

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Amount:


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CYTOCHROME P450 3A5

METABOLIC ENZYME -> SUBSTRATE

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					44T7335BKE

NALOXEGOL

EXCRETED UNCHANGED

Comments:

In feces, ~ 68 % of radioactivity dose was found; 58 % of fecal radioactivity was characterized, with 16 % noted to be unchanged drug and remaining as metabolites.

Qualification:

FECAL

Amount:


					44T7335BKE

NALOXEGOL

EXCRETED UNCHANGED

Comments:

16 % of radioactivity dose was found in urine, with 10 % as unchanged drug and 6 % as metabolites.

Qualification:

URINE

Amount:

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CARBOXYMETHYL-PEG6-NALOXOL

METABOLITE -> PARENT


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METABOLITE -> PARENT

Qualification:

PLASMA; URINE


					V475ZW9MQR

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)-

METABOLITE -> PARENT

Qualification:

FECAL; PLASMA; URINE


					2ZU68V975P

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)-

METABOLITE -> PARENT

Qualification:

FECAL; URINE

Related Record Type Details


					44T7335BKE

NALOXEGOL

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION

Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC