beta-Acetyldigoxin mixture with Dilazep
TL;DR: beta-Acetyldigoxin mixture with Dilazep (CAS 54914-39-5) is a chemical compound with molecular formula C74H112Cl2N2O25 and molecular weight 1498.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,6R)-6-[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate;dihydrochloride
Also Known As: Cormelian-digotab, Dilazep/beta-acetyldigoxin, ASTA CD 072, beta-Acetyldigoxin mixture with Dilazep, Dilazep, Beta-acetyldigoxin Drug Combination
| Molecular Formula | C74H112Cl2N2O25 |
|---|---|
| Molecular Weight | 1498.69 g/mol |
| LogP | 7.1724 |
| Topological Polar Surface Area | 324.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 27 |
| Exact Mass | 1498.6931 |
| Heavy Atoms | 103 |
| Complexity | 2290.0 |
Chemical Identifiers
| CAS Number | 54914-39-5 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@H](O[C@@H]([C@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)OC(=O)C)O)C)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7(C6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)O)O.COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl.Cl |
| InChIKey | SAIRXCYAABFIII-NYVGGITDSA-N |
Product Overview
beta-Acetyldigoxin mixture with Dilazep (CAS 54914-39-5), with molecular formula C74H112Cl2N2O25 and molecular weight 1498.69 g/mol. IUPAC: [(2R,3S,4S,6R)-6-[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate;3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate;dihydrochloride.
Chemical Property Profile of beta-Acetyldigoxin mixture with Dilazep
Property Insights of beta-Acetyldigoxin mixture with Dilazep
The XLogP value of 7.1724 indicates that beta-Acetyldigoxin mixture with Dilazep is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 324.0 Ų indicates high polarity, suggesting beta-Acetyldigoxin mixture with Dilazep may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Acetyldigoxin mixture with Dilazep has 7 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Acetyldigoxin mixture with Dilazep?
The CAS number of beta-Acetyldigoxin mixture with Dilazep is 54914-39-5.
What is the molecular formula of beta-Acetyldigoxin mixture with Dilazep?
The molecular formula of beta-Acetyldigoxin mixture with Dilazep is C74H112Cl2N2O25.
What is the molecular weight of beta-Acetyldigoxin mixture with Dilazep?
The molecular weight of beta-Acetyldigoxin mixture with Dilazep is 1498.69 g/mol.
Where can I buy beta-Acetyldigoxin mixture with Dilazep?
You can request a quote for beta-Acetyldigoxin mixture with Dilazep directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Acetyldigoxin mixture with Dilazep?
Yes, KEHONG BIO provides custom synthesis services for beta-Acetyldigoxin mixture with Dilazep and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.