Emetamine
TL;DR: Emetamine (CAS 483-19-2) is a chemical compound with molecular formula C29H36N2O4 and molecular weight 476.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,11bS)-2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
Also Known As: Emetamine, EMETAMINE [MI], TETRADEHYDROEMETINE, 6',7',10,11-tetramethoxy-1',2',3',4'-tetradehydroemetan, (2R,3R,11bS)-2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
| Molecular Formula | C29H36N2O4 |
|---|---|
| Molecular Weight | 476.27 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.26752 |
| Heavy Atoms | 35 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 483-19-2 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC4=NC=CC5=CC(=C(C=C54)OC)OC)OC)OC |
| InChIKey | MBYXEBXZARTUSS-HMHJJOSWSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Emetamine (CAS 483-19-2), with molecular formula C29H36N2O4 and molecular weight 476.27 g/mol. IUPAC: (2R,3R,11bS)-2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.
Chemical Property Profile of Emetamine
Property Insights of Emetamine
The XLogP value of 5.4 indicates that Emetamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, Emetamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Emetamine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Emetamine?
The CAS number of Emetamine is 483-19-2.
What is the molecular formula of Emetamine?
The molecular formula of Emetamine is C29H36N2O4.
What is the molecular weight of Emetamine?
The molecular weight of Emetamine is 476.27 g/mol.
Where can I buy Emetamine?
You can request a quote for Emetamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emetamine?
Yes, KEHONG BIO provides custom synthesis services for Emetamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.