ALVIMOPAN

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H32N2O4.2H2O
Molecular Weight	460.5631
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALVIMOPAN

Structure Search

SMILES

O.O.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=USPVLEIQIUNQGE-DBFLIVQGSA-N

InChI=1S/C25H32N2O4.2H2O/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);2*1H2/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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:02:41 UTC 2023` Edited by `admin` on `Fri Dec 15 16:02:41 UTC 2023`
Record UNII	677C126AET
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALVIMOPAN

Official Name

English

ENTEREG

Brand Name

English

ALVIMOPAN DIHYDRATE [MI]

Common Name

English

ALVIMOPAN [VANDF]

Common Name

English

LY-246736

Code

English

ALVIMOPAN [ORANGE BOOK]

Common Name

English

ADL-8-2698

Code

English

ALVIMOPAN [HSDB]

Common Name

English

[[(2S)-2-[[(3R,4R)-4-(3-Hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]-3-phenylpropanoyl]amino]acetic acid dihydrate

Systematic Name

English

LY-246736 DIHYDRATE

Code

English

ALVIMOPAN [USAN]

Common Name

English

ADL 8-2698

Code

English

LY246736

Code

English

ALVIMOPAN DIHYDRATE [MART.]

Common Name

English

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

Common Name

English

ALVIMOPAN DIHYDRATE

Common Name

English

Classification Tree Code System Code

WHO-VATC

QA06AH02

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

NCI_THESAURUS

C681

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

WHO-ATC

A06AH02

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

NDF-RT

N0000175691

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

Code System Code Type Description

MERCK INDEX

m1636

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

PRIMARY

Merck Index

NCI_THESAURUS

C49096

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

PRIMARY

USAN

MM-72

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

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DRUG CENTRAL

143

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

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DRUG BANK

DB06274

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

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FDA UNII

677C126AET

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

PRIMARY

MESH

C419502

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

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ChEMBL

CHEMBL270190

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

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SMS_ID

300000032193

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

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PUBCHEM

5488547

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

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WIKIPEDIA

ALVIMOPAN

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

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EPA CompTox

DTXSID40168794

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

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DAILYMED

677C126AET

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

PRIMARY

IUPHAR

7471

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

PRIMARY

CAS

170098-38-1

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

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RXCUI

480639

Created by admin on Fri Dec 15 16:02:41 UTC 2023 , Edited by admin on Fri Dec 15 16:02:41 UTC 2023

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RxNorm

Related Record Type Details


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					Q153V49P3Z

ALVIMOPAN ANHYDROUS

ANHYDROUS->SOLVATE


					1PE72K8X46

MU-TYPE OPIOID RECEPTOR

TARGET -> AGONIST

Interaction Type:

BINDING

Qualification:

Ki

Amount:


					EV0PWK6TT6

DELTA-TYPE OPIOID RECEPTOR

TARGET -> AGONIST

Interaction Type:

BINDING

Qualification:

Ki

Amount:


					2BJ58BX78W

KAPPA-TYPE OPIOID RECEPTOR

TARGET -> AGONIST

Interaction Type:

BINDING

Qualification:

Ki

Amount:

Related Record Type Details


					Q153V49P3Z

ALVIMOPAN ANHYDROUS

ACTIVE MOIETY

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

Biological Half-life	PHARMACOKINETIC