TL;DR: Morphatropin (CAS 138230-28-1) is a chemical compound with molecular formula C51H68ClN3O13S and molecular weight 997.41614 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;bis(2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenyl]propaneperoxoic acid);sulfuric acid;hydrochloride
Also Known As: Morphatropin, Atropine mixture with morphine, C17H23NO3.C17H19NO3.ClH.1/2H2O4S, C17-H23-N-O3.C17-H19-N-O3.Cl-H.1/2H2-O4-S, (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenyl]propaneperoxoic acid;sulfuric acid;hydrochloride
| Molecular Formula | C51H68ClN3O13S |
| Molecular Weight | 997.41614 g/mol |
| XLogP | 7.2601 |
| Topological Polar Surface Area (TPSA) | 235.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 997.41614 Da |
| Heavy Atoms | 69 |
| Complexity | 948.0 |
| SMILES | CC(C1=CC=CC(=C1)C2CC3CCC(C2)N3C)C(=O)OO.CC(C1=CC=CC(=C1)C2CC3CCC(C2)N3C)C(=O)OO.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.OS(=O)(=O)O.Cl |
| InChIKey | AHLMLXUOHMWIFY-BJWPBXOKSA-N |
The XLogP value of 7.2601 indicates that Morphatropin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.0 Ų indicates high polarity, suggesting Morphatropin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Morphatropin has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Morphatropin is 138230-28-1.
The molecular formula of Morphatropin is C51H68ClN3O13S.
The molecular weight of Morphatropin is 997.41614 g/mol.
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