Alvimopan dihydrate

CAS Registry Number®

170098-38-1

CAS Name

Alvimopan dihydrate

Molecular Formula

C25H32N2O4.2H2O

Cite 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 2024-11-24) (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

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