CAS: 170098-38-1 - Alvimopan dihydrate

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: 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