Metoclopramide dihydrochloride monohydrate
TL;DR: Metoclopramide dihydrochloride monohydrate (CAS 5581-45-3) is a chemical compound with molecular formula C14H26Cl3N3O3 and molecular weight 389.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrate;dihydrochloride
Also Known As: Metadrate, Gastronerton, Primperan, Emetid, Reglan
| Molecular Formula | C14H26Cl3N3O3 |
|---|---|
| Molecular Weight | 389.10 g/mol |
| LogP | 2.0213 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.10397 |
| Heavy Atoms | 23 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 5581-45-3 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.O.Cl.Cl |
| InChIKey | IRQVJPHZDYMXNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metoclopramide dihydrochloride monohydrate (CAS 5581-45-3), with molecular formula C14H26Cl3N3O3 and molecular weight 389.10 g/mol. IUPAC: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrate;dihydrochloride.
Chemical Property Profile of Metoclopramide dihydrochloride monohydrate
Property Insights of Metoclopramide dihydrochloride monohydrate
The XLogP value of 2.0213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metoclopramide dihydrochloride monohydrate. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Metoclopramide dihydrochloride monohydrate. Following Lipinski's Rule of Five, Metoclopramide dihydrochloride monohydrate has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Metoclopramide dihydrochloride monohydrate?
The CAS number of Metoclopramide dihydrochloride monohydrate is 5581-45-3.
What is the molecular formula of Metoclopramide dihydrochloride monohydrate?
The molecular formula of Metoclopramide dihydrochloride monohydrate is C14H26Cl3N3O3.
What is the molecular weight of Metoclopramide dihydrochloride monohydrate?
The molecular weight of Metoclopramide dihydrochloride monohydrate is 389.10 g/mol.
Where can I buy Metoclopramide dihydrochloride monohydrate?
You can request a quote for Metoclopramide dihydrochloride monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metoclopramide dihydrochloride monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Metoclopramide dihydrochloride monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.