Asimadoline
CAS Registry Number®
153205-46-0
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CAS Name
AsimadolineMolecular Formula
C27H30N2O2Molecular Mass
414.54Cite this Page
Asimadoline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=153205-46-0 (retrieved ) (CAS RN: 153205-46-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1
InChIKey
InChIKey=JHLHNYVMZCADTC-LOSJGSFVSA-N
SMILES
C(C(N([C@H](CN1CC[C@H](O)C1)C2=CC=CC=C2)C)=O)(C3=CC=CC=C3)C4=CC=CC=C4
Canonical SMILES
O=C(N(C)C(C=1C=CC=CC1)CN2CCC(O)C2)C(C=3C=CC=CC3)C=4C=CC=CC4
Other Names for this Substance
- Benzeneacetamide, N-[(1S)-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl]-N-methyl-α-phenyl-
- Benzeneacetamide, N-[2-(3-hydroxy-1-pyrrolidinyl)-1-phenylethyl]-N-methyl-α-phenyl-, [S-(R*,R*)]-
- N-[(1S)-2-[(3S)-3-Hydroxy-1-pyrrolidinyl]-1-phenylethyl]-N-methyl-α-phenylbenzeneacetamide
- EMD 61753
- Asimadoline
