ALVIMOPAN ANHYDROUS

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H32N2O4
Molecular Weight	424.5326
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALVIMOPAN ANHYDROUS

Structure Search

SMILES

C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C3=CC=CC(O)=C3

InChI

InChIKey=UPNUIXSCZBYVBB-JVFUWBCBSA-N

InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H32N2O4
Molecular Weight	424.5326
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:19:53 UTC 2023` Edited by `admin` on `Fri Dec 15 16:19:53 UTC 2023`
Record UNII	Q153V49P3Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALVIMOPAN ANHYDROUS

Common Name

English

Alvimopan [WHO-DD]

Common Name

English

ALVIMOPAN [MI]

Common Name

English

N-((2S)-2-(((3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYL-1-PIPERIDINYL)METHYL)-1-OXO-3-PHENYLPROPYL)GLYCINE

Systematic Name

English

ANHYDROUS ALVIMOPAN

Common Name

English

ALVIMOPAN [MART.]

Common Name

English

GLYCINE, N-(2-((4-(3-HYDROXYPHENYL)-3,4-DIMETHYL-1-PIPERIDINYL)METHYL)-1-OXO-3-PHENYLPROPYL)-, (3R-((S*),3.ALPHA.,4.ALPHA.))-

Common Name

English

alvimopan [INN]

Common Name

English

ANHYDROUS ALVIMOPAN [MART.]

Common Name

English

((2(S)-((4(R)-(3-HYDROXYPHENYL)-3(R),4-DIMETHYL-1-PIPERIDINYL)METHYL)-1-OXO-3-PHENYLPROPYL)AMINO)ACETIC ACID

Systematic Name

English

(((2S)-2-(((3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYLPIPERIDIN-1-YL)METHYL)-3-PHENYLPROPANOYL)AMINO)ACETIC ACID

Systematic Name

English

Classification Tree Code System Code

NDF-RT

N0000000154

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

WHO-ATC

A06AH02

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

NCI_THESAURUS

C681

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

NDF-RT

N0000175691

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

Code System Code Type Description

MERCK INDEX

m1636

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

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Merck Index

CAS

156053-89-3

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

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EVMPD

SUB20585

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

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INN

8245

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

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SMS_ID

100000085983

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

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DAILYMED

Q153V49P3Z

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

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FDA UNII

Q153V49P3Z

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

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NCI_THESAURUS

C77377

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

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EPA CompTox

DTXSID60166035

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

PRIMARY

HSDB

7704

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

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PUBCHEM

5488548

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

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RXCUI

1516803

Created by admin on Fri Dec 15 16:19:53 UTC 2023 , Edited by admin on Fri Dec 15 16:19:53 UTC 2023

PRIMARY

RxNorm

Related Record Type Details


					28LAR2REDG

ALVIMOPAN MONOHYDRATE

SOLVATE->ANHYDROUS


					Q153V49P3Z

ALVIMOPAN ANHYDROUS

EXCRETED UNCHANGED

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

Plasma protein binding of alvimopan was independent of concentration over ranges observed clinically and averaged 80% .

Interaction Type:

BINDING

Amount:


					Q153V49P3Z

ALVIMOPAN ANHYDROUS

EXCRETED UNCHANGED

Interaction Type:

AMOUNT EXCRETED

Qualification:

FECAL

Amount:


					1PE72K8X46

MU-TYPE OPIOID RECEPTOR

TARGET -> INHIBITOR

Qualification:

Ki

Amount:


					677C126AET

ALVIMOPAN

SOLVATE->ANHYDROUS


					28LAR2REDG

ALVIMOPAN MONOHYDRATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					3I1G16537O

METABOLITE -> PARENT

Comments:

demonstrated in vitro to be equipotent to alvimopan

Interaction Type:

MAJOR

Qualification:

URINE


					HR9UD9UJ3D

(2S,3S,4S,5R,6S)-6-(3-((3R,4R)-1-((2S)-2-BENZYL-3-HYDROXY-3-OXO-PROPYL)-3,4-DIMETHYL-4-PIPERIDYL)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE -> PARENT

Qualification:

URINE

Amount:

Related Record Type Details


					Q153V49P3Z

ALVIMOPAN ANHYDROUS

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Tmax	PHARMACOKINETIC