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Ondansetron Hydrochloride

CAT: 0572-TRC-O655000-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O655000-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99614-01-4
Synonyms
Emeset|GR 38032F|NSC 665799|SN 307
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
O=C1C(CN2C(C)=NC=C2)CCC3=C1C(C=CC=C4)=C4N3C.Cl
Molecular Formula
C18 H19 N3 O . H Cl
Molecular Weight
329.8
InChI
InChI=1S/C18H19N3O.ClH/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H
Additionnal Information
IUPAC name: 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-carbazol-4-one, monohydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ondansetron Hydrochloride

Ondansetron Hydrochloride is the hydrochloride salt of the racemic form of ondansetron, a carbazole derivative and a selective, competitive serotonin 5-hydroxytryptamine type 3 (5-HT3) receptor antagonist with antiemetic activity. Although its mechanism of action has not been fully characterized, ondansetron appears to competitively block the action of serotonin at 5HT3 receptors peripherally in the gastrointestinal tract as well as centrally in the area postrema of the CNS, where the chemoreceptor trigger zone (CTZ) for vomiting is located, resulting in the suppression of chemotherapy- and radiotherapy-induced nausea and vomiting.

CAS Number99614-01-4
PubChem CID68647
IUPAC Name9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;hydrochloride
Molecular FormulaC18H20ClN3O
Molecular Weight329.8
Topological Polar Surface Area39.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity440
SMILES
CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl
InChI
InChI=1S/C18H19N3O.ClH/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H
InChIKey
MKBLHFILKIKSQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ondansetron Hydrochloride
CAS: 99614-01-4
CID: 68647
Formula: C18H20ClN3O
MW: 329.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass329.1294900
Monoisotopic Mass329.1294900
Topological Polar Surface Area39.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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