Alkosin
TL;DR: Alkosin (CAS 76741-94-1) is a chemical compound with molecular formula C65H80N7NaO18PS3-5 and molecular weight 1396.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;3-hydroxy-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1-phenylpropan-2-one;phosphate;sulfate
Also Known As: Alkosin, Hydroxymethylmorphinan, aminopyrine - atropine - codeine - promethazine, Aminopyrine mixture with atropine, codeine and promethazine, Aminopyrine, atropine, codeine, promethazine drug combination
| Molecular Formula | C65H80N7NaO18PS3-5 |
|---|---|
| Molecular Weight | 1396.44 g/mol |
| LogP | 0.93612 |
| Topological Polar Surface Area | 352.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 13 |
| Exact Mass | 1396.4357 |
| Heavy Atoms | 95 |
| Complexity | 3903.2092 |
Chemical Identifiers
| CAS Number | 76741-94-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C(=O)CO.[O-]P(=O)([O-])[O-].[O-]S(=O)(=O)[O-].[Na+] |
Product Overview
Alkosin (CAS 76741-94-1), with molecular formula C65H80N7NaO18PS3-5 and molecular weight 1396.44 g/mol. IUPAC: sodium;(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;3-hydroxy-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1-phenylpropan-2-one;phosphate;sulfate.
Chemical Property Profile of Alkosin
Property Insights of Alkosin
The XLogP value of 0.93612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alkosin. The TPSA of 352.06 Ų indicates high polarity, suggesting Alkosin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alkosin has 2 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alkosin?
The CAS number of Alkosin is 76741-94-1.
What is the molecular formula of Alkosin?
The molecular formula of Alkosin is C65H80N7NaO18PS3-5.
What is the molecular weight of Alkosin?
The molecular weight of Alkosin is 1396.44 g/mol.
Where can I buy Alkosin?
You can request a quote for Alkosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alkosin?
Yes, KEHONG BIO provides custom synthesis services for Alkosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.