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Chemical structure of Alvimopan dihydrate

GC12619

Alvimopan dihydrate

Also known as 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid;dihydrate

A μ-opioid receptor antagonist

ChemicalCAS170098-38-1MW460.56FormulaC25H36N2O6
CAS number
170098-38-1
Molecular weight
460.56
Formula
C25H36N2O6
Solubility
DMSO : 92mg/mL
InChIKey
USPVLEIQIUNQGE-DBFLIVQGSA-N
Catalogue number
GC12619
Brand
GLPBIO
Computed properties PubChem CID 5488547 · TPSA 91.9 Ų · H-bond donors 5 · H-bond acceptors 7
TPSA
91.9 Ų
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
33

SMILES C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O

Computed descriptors from PubChem (CID 5488547), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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