Research chemical
Ondansetron
CAS Number: 99614-02-5
Product details
Identity & specification
- Molecular formula
- C18H19N3O
- Molecular weight
- 293.4 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
4595
Exact Mass
293.152812
InChIKey
FELGMEQIXOGIFQ-UHFFFAOYSA-N
IUPAC Name
9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
SMILES String
CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C
Physical Properties
Melting Point
231–232 °C
Water Solubility
slightly soluble in water
Show more physical data
XLogP
2.3
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
22
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
2
Ring count
4
Aromatic rings
3
Topological polar surface area
39.82 Ų
Computed LogP
3.13
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
Ondansetron (CAS 99614-02-5) is listed in the Advanced Chemicals portfolio, with molecular formula C18H19N3O and molecular weight 293. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Danger; hazard codes: H301; For research use only.
Applications & Classification
Biological target reference
ChEMBL reports experimental activity evidence for: 5-hydroxytryptamine receptor 3A (Homo sapiens) — 7 assays; 5-hydroxytryptamine receptor 3A (Rattus norvegicus) — 2 assays; Serotonin 3 (5-HT3) receptor (Rattus norvegicus) — 8 assays; 5-hydroxytryptamine receptor 2B (Homo sapiens) — 2 assays; Multidrug and toxin extrusion protein 1 (Homo sapiens) — 4 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
5-hydroxytryptamine receptor 3A
Homo sapiens · SINGLE PROTEIN · 7 qualifying assays · 5 documents · best pChEMBL 10.05
Experimental evidence source: ChEMBL
5-hydroxytryptamine receptor 3A
Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 9.8
Experimental evidence source: ChEMBL
Serotonin 3 (5-HT3) receptor
Rattus norvegicus · PROTEIN COMPLEX · 8 qualifying assays · 6 documents · best pChEMBL 8.61
Experimental evidence source: ChEMBL
5-hydroxytryptamine receptor 2B
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 8.6
Experimental evidence source: ChEMBL
Multidrug and toxin extrusion protein 1
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 2 documents · best pChEMBL 7.52
Experimental evidence source: ChEMBL
Safety & Handling
Handling & Storage
- Keep container tightly closed and dry.
- Store in a well-ventilated place.
PPE
First Aid
- Do not give anything to an unconscious person.
- Rinse mouth with water.
Stability / Reactivity
- Reactivity and stability.
Show additional safety reference fields
Fire Fighting
- If necessary, wear a self-contained breathing apparatus for firefighting.
Accidental Release
- Do not generate dust when collecting and disposing.
- Sweep and shovel up.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCatalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
Sourcing context and documentation notes
Show details
Procurement notes
Sourcing context and documentation notes
MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.
Package and specification
Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Final lot confirmation
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supply documentation
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Quotation review
Final quote depends on quantity, lead time, destination, and supplier confirmation.
Procurement questions
Is CAS 99614-02-5 in stock?
Ondansetron is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.
How is the final price confirmed?
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Can MolGraph provide COA or SDS for CAS 99614-02-5?
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.