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Alvimopan dihydrate

Alvimopan dihydrate structure

CAS No:
170098-38-1
Formula:
C25H32N2O4.2H2O
Chemical Name:
Alvimopan dihydrate
Synonyms:
Glycine,N-[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]-,hydrate (1:2);Glycine,N-[2-[[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]-,dihydrate,[3R-[1(S*),3α,4α]]-;Glycine,N-[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]-,dihydrate;Alvimopan dihydrate;ADL 8-2698 dihydrate;LY 246736 dihydrate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Alvimopan is a synthetic trans-3,4-dimethyl-4-(3-hydroxyphenyl) piperidine with peripherally selective opioid mu receptor antagonist activity. Alvimopan is a selective and competitive antagonist at mu-opioid receptors, found in myenteric and submucosal neurons and the immune cells of the lamina propria in the human gut. Upon administration, this agent binds to mu-opioid receptors in the gut, thereby reversing opioid-related disturbances in gut motility. Alvimopan is approximately three to nine times more potent than naloxone.

Alvimopan dihydrate Basic Attributes

Molecular Weight：

460.56300

Exact Mass：

460.25733687

UNII：

677C126AET

DSSTox ID：

DTXSID40168794

NCI Thesaurus Code：

C49096

Characteristics

PSA：

108.33000

XLogP3：

3.25160

Density：

1.166g/cm3

Melting Point：

210-213ºC

Boiling Point：

684.1ºC at 760mmHg

Flash Point：

367.5ºC

Refractive Index：

1.572

Vapor Pressure：

1.18E-19mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 35 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion. (See all compounds classified as Gastrointestinal Agents.)

MeSH Entry Terms：

ADL 8-2698

Alvimopan dihydrate Use and Manufacturing

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:460.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:460.25733687
Monoisotopic Mass:460.25733687
Topological Polar Surface Area:91.9
Heavy Atom Count:33
Complexity:606
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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