Mcl-101
(1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(2S)-2-hydroxy-2-phenylacetic acid
Also Known As: MCL101|MCL-101|Morphinan-3-ol, 17-(cyclobutylmethyl)-, (alphaS)-alpha-hydroxybenzeneacetate (1:1)|Morphinan-3-ol, 17-(cyclobutylmethyl)-, (alphaS)-alpha-hydroxybenzeneacetate (salt)|Benzeneacetic acid, alpha-hydroxy-, (alphaS)-, compd. with 17-(cyclobutylmethyl)morphinan-3-ol (1:1)|BENZENEACETIC ACID, .ALPHA.-HYDROXY-, (.ALPHA.S)-, COMPD. WITH 17-(CYCLOBUTYLMETHYL)MORPHINAN-3-OL (1:1)|MORPHINAN-3-OL, 17-(CYCLOBUTYLMETHYL)-, (.ALPHA.S)-.ALPHA.-HYDROXYBENZENEACETATE (1:1)|MORPHINAN-3-OL, 17-(CYCLOBUTYLMETHYL)-, (.ALPHA.S)-.ALPHA.-HYDROXYBENZENEACETATE (SALT)
| Molecular Formula | C29H37NO4 |
|---|---|
| Molecular Weight | 463.27225 g/mol |
| LogP | 5.0553 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.27225 |
| Monoisotopic Mass | 463.27225 |
| Heavy Atoms | 34 |
| Complexity | 1004.4451 |
Chemical Identifiers
| CAS Number | 259192-07-9 |
|---|---|
| SMILES | C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CC5CCC5.C1=CC=C(C=C1)[C@@H](C(=O)O)O |
Product Overview
Mcl-101 (CAS 259192-07-9), with molecular formula C29H37NO4 and molecular weight 463.27225 g/mol. IUPAC: (1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(2S)-2-hydroxy-2-phenylacetic acid.