Ondansetron hydrochloride

Base Information

• Chemical Name: Ondansetron hydrochloride
• CAS No.: 99614-01-4
• Deprecated CAS: 110204-46-1,110707-92-1
• Molecular Formula: C18H19N3O^.HCl
• Molecular Weight: 329.829
• Hs Code.: 29339900
• European Community (EC) Number: 619-448-9
• NSC Number: 665799
• UNII: 2999F27MAD
• DSSTox Substance ID: DTXSID701027913
• Wikidata: Q27254405
• NCI Thesaurus Code: C157329
• RXCUI: 203148
• ChEMBL ID: CHEMBL1201111
• Mol file: 99614-01-4.mol

Synonyms:4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-;Dihydrate, Ondansetron Monohydrochloride;GR 38032F;GR-38032F;GR38032F;Hydrochloride, Ondansetron;Monohydrochloride Dihydrate, Ondansetron;Monohydrochloride, Ondansetron;ODT, Zofran;Ondansetron;Ondansetron Hydrochloride;Ondansetron Monohydrochloride;Ondansetron Monohydrochloride Dihydrate;Ondansetron, (+,-)-Isomer;Ondansetron, (R)-Isomer;Ondansetron, (S)-Isomer;SN 307;SN-307;SN307;Zofran;Zofran ODT

Chemical Property of Ondansetron hydrochloride

Chemical Property:

• Appearance/Colour: white to off-white solid
• Vapor Pressure: 1.47E-12mmHg at 25°C
• Melting Point: 178.5-179.5 °C
• Boiling Point: 546 °C at 760 mmHg
• PKA: 7.4(at 25℃)
• Flash Point: 284 °C
• PSA: 39.82000
• Density: 1.27 g/cm³
• LogP: 3.93050
• Storage Temp.: −20°C
• Solubility.: H2O: >5 mg/mL
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 329.1294900
• Heavy Atom Count: 23
• Complexity: 440

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ondansetron Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 25-36/37/38
• Safety Statements: 45-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl
• Recent ClinicalTrials: Olanzapine With or Without Fosaprepitant Dimeglumine in Preventing Chemotherapy Induced Nausea and Vomiting in Cancer Patients Receiving Highly Emetogenic Chemotherapy
• Recent EU Clinical Trials: A 24-Week, Multicenter, Randomized, Double-Blind, Placebo-Controlled, Parallel-Group, Phase 3 Clinical Study to Evaluate the Efficacy, Safety and Tolerability of AD04 (Ondansetron) in Adults with Alcohol Use Disorder (AUD) and Selected Polymorphisms in the Serotonin Transporter and Receptor Genes (ONWARD)
• Uses: A specific serotonin (5-HT3) receptor antagonist. Antiemetic.

Technology Process of Ondansetron hydrochloride

There total 5 articles about Ondansetron hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

ondanserton (99614-02-5,99614-58-1,99614-60-5,116002-70-1) → Ondansetron hydrochloride (99614-01-4,146475-23-2)

Guidance literature:

With hydrogenchloride; In ethanol; water; at -10 - 20 ℃; for 2h; Product distribution / selectivity;

Reference yield: 78.0%

2-methylimidazole (693-98-1) + 9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one (27387-31-1,808754-65-6) + bis-(dimethylamino)methane (51-80-9) → Ondansetron hydrochloride (99614-01-4,146475-23-2)

Guidance literature:

2-methylimidazole; 9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one; bis-(dimethylamino)methane; With acetyl chloride; Heating / reflux;

With hydrogenchloride; In ethanol; water; for 2h; Product distribution / selectivity;

Reference yield: 46.0%

→ Ondansetron hydrochloride (99614-01-4,146475-23-2)

Guidance literature:

upstream raw materials:

ondanserton

2-methylimidazole

9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one

bis-(dimethylamino)methane

Downstream raw materials:

ondanserton

Refernces

• 1、 -. "Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one and ondansetron therefrom". Page/Page column 8. . Retrieved 2008/06/13.
• 2、 -. "PROCESS FOR PREPARING 1,2,3,9-TETRAHYDRO-9-METHYL-3-[(2-METHYL-1H-IMIDAZOLE-1-YL)METHYL]-4H-CARBAZOL-4-ONE OR ITS SALT". Page/Page column 15-16. . Retrieved 2008/06/13.