CAS 170098-38-1: Alvimopan dihydrate

Description: Alvimopan dihydrate is a pharmaceutical compound primarily used as a peripherally acting mu-opioid receptor antagonist. It is designed to mitigate the gastrointestinal side effects associated with opioid analgesics, particularly postoperative ileus. The substance is characterized by its molecular structure, which includes a specific arrangement of atoms that allows it to selectively block mu-opioid receptors in the gastrointestinal tract without affecting central nervous system receptors. This selectivity helps to maintain analgesic effects while reducing the risk of constipation. Alvimopan dihydrate is typically administered orally and is known for its rapid absorption and elimination. The dihydrate form indicates the presence of water molecules in its crystalline structure, which can influence its solubility and stability. In clinical settings, it is often utilized in patients undergoing bowel resection surgeries to promote gastrointestinal recovery. As with any medication, it is essential to consider potential side effects and contraindications, particularly in patients with certain medical conditions or those taking other medications.

Formula: C₂₅H₃₂N₂O₄·2H₂O

InChI: 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

InChI key: InChIKey=USPVLEIQIUNQGE-DBFLIVQGSA-N

SMILES: O=C(O)CNC(=O)C(CC=1C=CC=CC1)CN2CCC(C=3C=CC=C(O)C3)(C)C(C)C2.O

Synonyms:

• 2-([(2S)-2-([(3R,4R)-4-(3-Hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl)-3-phenylpropanoyl]amino)acetic acid dihydrate
• 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperi dyl]propanoyl]amino]acetic acid dihydrate
• ADL 8-2698 dihydrate
• Glycine, N-[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]-, dihydrate
• 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]]-
• LY 246736 dihydrate
• N-{(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl}glycine dihydrate
• [[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]-3-phenylpropanoyl]amino]acetic acid dihydrate
• Alvimopan dihydrate

Glycine,N-[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]-, dihydrate

CAS: 170098-38-1

• Formula: C₂₅H₃₆N₂O₆
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 460.5631

Alvimopan Dihydrate

CAS: 170098-38-1

• Formula: C₂₅H₃₂N₂O₄·2H₂O
• Purity: >95.0%(T)(HPLC)
• Color and Shape: White to Light yellow powder to crystal
• Molecular weight: 460.57

Alvimopan Dihydrate

CAS: 170098-38-1

• Formula: C₂₅H₃₂N₂O₄H₂O
• Color and Shape: Neat
• Molecular weight: 460.56

Alvimopan dihydrate (LY246736 dihydrate)

CAS: 170098-38-1

Alvimopan dihydrate is a potent, oral μ-opioid receptor blocker (IC50 1.7 nM, Ki 0.47 nM) …

• Formula: C₂₅H₃₆N₂O₆
• Color and Shape: Solid
• Molecular weight: 460.56

Alvimopan dihydrate

CAS: 170098-38-1

Peripheral ?-opioid receptor antagonist; gastroprokinetic

• Formula: C₂₅H₃₂N₂O₄•(H₂O)₂
• Purity: Min. 95%
• Molecular weight: 460.56 g/mol