Alvimopan dihydrate
CAS Registry Number®
170098-38-1
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CAS Name
Alvimopan dihydrateMolecular Formula
C25H32N2O4.2H2OCite this Page
Alvimopan dihydrate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=170098-38-1 (retrieved ) (CAS RN: 170098-38-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
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
InChIKey
InChIKey=USPVLEIQIUNQGE-DBFLIVQGSA-N
SMILES
C[C@@]1([C@@H](C)CN(C[C@H](CC2=CC=CC=C2)C(NCC(O)=O)=O)CC1)C3=CC(O)=CC=C3.O
Canonical SMILES
O=C(O)CNC(=O)C(CC=1C=CC=CC1)CN2CCC(C=3C=CC=C(O)C3)(C)C(C)C2.O
Other Names for this Substance
- 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
