(+)-Emetine dihydrochloride hydrate
TL;DR: (+)-Emetine dihydrochloride hydrate (CAS 313222-96-7) is a chemical compound with molecular formula C29H44Cl2N2O5 and molecular weight 570.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrate;dihydrochloride
Also Known As: Emetine dihydrochloride hydrate, Emetine hydrochloride hydrate, EMETINE, (+)-Emetine dihydrochloride hydrate, Emetine, dihydrochloride, hydrate
| Molecular Formula | C29H44Cl2N2O5 |
|---|---|
| Molecular Weight | 570.26 g/mol |
| LogP | 4.9623 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 570.26276 |
| Heavy Atoms | 38 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 313222-96-7 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.O.Cl.Cl |
| InChIKey | IZTPMTAWOCEKKM-VXMYZLRESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+)-Emetine dihydrochloride hydrate (CAS 313222-96-7), with molecular formula C29H44Cl2N2O5 and molecular weight 570.26 g/mol. IUPAC: (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrate;dihydrochloride.
Chemical Property Profile of (+)-Emetine dihydrochloride hydrate
Property Insights of (+)-Emetine dihydrochloride hydrate
The XLogP value of 4.9623 indicates that (+)-Emetine dihydrochloride hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.2 Ų, (+)-Emetine dihydrochloride hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Emetine dihydrochloride hydrate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (+)-Emetine dihydrochloride hydrate?
The CAS number of (+)-Emetine dihydrochloride hydrate is 313222-96-7.
What is the molecular formula of (+)-Emetine dihydrochloride hydrate?
The molecular formula of (+)-Emetine dihydrochloride hydrate is C29H44Cl2N2O5.
What is the molecular weight of (+)-Emetine dihydrochloride hydrate?
The molecular weight of (+)-Emetine dihydrochloride hydrate is 570.26 g/mol.
Where can I buy (+)-Emetine dihydrochloride hydrate?
You can request a quote for (+)-Emetine dihydrochloride hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Emetine dihydrochloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for (+)-Emetine dihydrochloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.