| CAS Number | 1781835-13-9 |
| Catalog Number | AG01E2TR(AGN-PC-0WP20J) |
| Chemical Name | RN-1Hydrochloride |
| IUPAC Name | 1-(4-methylpiperazin-1-yl)-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]ethanone;dihydrochloride |
| InChI | InChI=1S/C23H29N3O2.2ClH/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18;;/h2-10,21-22,24H,11-17H2,1H3;2*1H/t21-,22+;;/m0../s1 |
| InChI Key | WMHAFZOOUBPQRX-VSIGASKDSA-N |
| MDL Number | MFCD32200435 |
| Molecular Formula | C23H31Cl2N3O2 |
| Molecular Weight | 452.4171 |
| SMILES | CN1CCN(C(CN[C@@H]2[C@@H](C3=CC=C(OCC4=CC=CC=C4)C=C3)C2)=O)CC1.Cl.Cl |
| Synonyms | RN 1 dihydrochloride,
1781835-13-9,
EX-A2698,
AKOS024458445,
1-(4-methyl-1-piperazinyl)-2-[[(1R*,2S*)-2-[4-phenylmethoxy)phenyl]cyclopropyl]amino]ethanone dihydrochloride,
|
| Complexity | 492 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 451.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 452.42g/mol |
| Monoisotopic Mass | 451.179g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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