Drotaverine, acephyllinate drug combination
TL;DR: Drotaverine, acephyllinate drug combination (CAS 61954-97-0) is a chemical compound with molecular formula C33H41N5O8 and molecular weight 635.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
Also Known As: Depogen, Drotaverine acephyllinate, drotavarine-theophylline-7-acetate, Drotaverine, acephyllinate drug combination, DROTAVERINE ACEPHYLLINATE [MI]
| Molecular Formula | C33H41N5O8 |
|---|---|
| Molecular Weight | 635.30 g/mol |
| LogP | 3.3876 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 635.29553 |
| Heavy Atoms | 46 |
| Complexity | 896.0 |
Chemical Identifiers
| CAS Number | 61954-97-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OCC)OCC)OCC.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O |
| InChIKey | OUKQYSCCWVCDKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Drotaverine, acephyllinate drug combination (CAS 61954-97-0), with molecular formula C33H41N5O8 and molecular weight 635.30 g/mol. IUPAC: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid.
Chemical Property Profile of Drotaverine, acephyllinate drug combination
Property Insights of Drotaverine, acephyllinate drug combination
The XLogP value of 3.3876 indicates that Drotaverine, acephyllinate drug combination is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Drotaverine, acephyllinate drug combination may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Drotaverine, acephyllinate drug combination has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Drotaverine, acephyllinate drug combination?
The CAS number of Drotaverine, acephyllinate drug combination is 61954-97-0.
What is the molecular formula of Drotaverine, acephyllinate drug combination?
The molecular formula of Drotaverine, acephyllinate drug combination is C33H41N5O8.
What is the molecular weight of Drotaverine, acephyllinate drug combination?
The molecular weight of Drotaverine, acephyllinate drug combination is 635.30 g/mol.
Where can I buy Drotaverine, acephyllinate drug combination?
You can request a quote for Drotaverine, acephyllinate drug combination directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Drotaverine, acephyllinate drug combination?
Yes, KEHONG BIO provides custom synthesis services for Drotaverine, acephyllinate drug combination and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.