Atropine Sulfate; Diphenoxylate Hydrochloride
TL;DR: Atropine Sulfate; Diphenoxylate Hydrochloride (CAS 55840-97-6) is a chemical compound with molecular formula C47H58ClN3O9S and molecular weight 875.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrochloride
Also Known As: Lonox, Lomotil, Colonaid, Reasec, LOGEN
| Molecular Formula | C47H58ClN3O9S |
|---|---|
| Molecular Weight | 875.36 g/mol |
| LogP | 7.18 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 875.3582 |
| Heavy Atoms | 61 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 55840-97-6 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O.Cl |
| InChIKey | HKIGPMUNBXIAHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Atropine Sulfate; Diphenoxylate Hydrochloride (CAS 55840-97-6), with molecular formula C47H58ClN3O9S and molecular weight 875.36 g/mol. IUPAC: ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrochloride.
Chemical Property Profile of Atropine Sulfate; Diphenoxylate Hydrochloride
Property Insights of Atropine Sulfate; Diphenoxylate Hydrochloride
The XLogP value of 7.18 indicates that Atropine Sulfate; Diphenoxylate Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting Atropine Sulfate; Diphenoxylate Hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Atropine Sulfate; Diphenoxylate Hydrochloride has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Atropine Sulfate; Diphenoxylate Hydrochloride?
The CAS number of Atropine Sulfate; Diphenoxylate Hydrochloride is 55840-97-6.
What is the molecular formula of Atropine Sulfate; Diphenoxylate Hydrochloride?
The molecular formula of Atropine Sulfate; Diphenoxylate Hydrochloride is C47H58ClN3O9S.
What is the molecular weight of Atropine Sulfate; Diphenoxylate Hydrochloride?
The molecular weight of Atropine Sulfate; Diphenoxylate Hydrochloride is 875.36 g/mol.
Where can I buy Atropine Sulfate; Diphenoxylate Hydrochloride?
You can request a quote for Atropine Sulfate; Diphenoxylate Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atropine Sulfate; Diphenoxylate Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Atropine Sulfate; Diphenoxylate Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.