| CAS Number | 2172651-73-7 |
| Catalog Number | AG01FNPY(AGN-PC-3H4BHA) |
| Chemical Name | RMC-4550 |
| IUPAC Name | [3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol |
| InChI | InChI=1S/C21H26Cl2N4O2/c1-12-18(14-4-3-5-15(22)17(14)23)26-16(10-28)20(25-12)27-8-6-21(7-9-27)11-29-13(2)19(21)24/h3-5,13,19,28H,6-11,24H2,1-2H3/t13-,19+/m0/s1 |
| InChI Key | IKUYEYLZXGGCRD-ORAYPTAESA-N |
| MDL Number | MFCD31746888 |
| Molecular Formula | C21H26Cl2N4O2 |
| Molecular Weight | 437.3627 |
| SMILES | N[C@@H]1[C@@H](OCC12CCN(CC2)C=2C(=NC(=C(N2)C)C2=C(C(=CC=C2)Cl)Cl)CO)C |
| UNII | 2Q6NVG4EXB |
| Synonyms | RMC-4550,
2172651-73-7,
UNII-2Q6NVG4EXB,
2Q6NVG4EXB,
SCHEMBL19785503,
HY-116009,
CS-0063450,
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| Complexity | 563 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 436.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 437.365g/mol |
| Monoisotopic Mass | 436.143g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number