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103639-04-9

Basic Information
CAS No.: 103639-04-9
Name: Ondansetron hydrochloride
Molecular Structure:
Molecular Structure of 103639-04-9 (Ondansetron hydrochloride)
Formula: C18H24ClN3O3
Molecular Weight: 365.85
Synonyms: 4H-Carbazol-4-one,1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-,monohydrochloride, dihydrate (9CI);Ondansetron hydrochloride dihydrate;
EINECS: 600-465-5
Density: 1.27 g/cm3
Melting Point: 231-232oC
Boiling Point: 546 °C at 760 mmHg
Flash Point: 284 °C
Appearance: White crystal powder
Hazard Symbols: ToxicT,IrritantXi
Risk Codes: 25-36/37/38
Safety: 45-37/39-26
Transport Information: UN 2811
PSA: 58.28000
LogP: 3.80190
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    Ondansetron hydrochloride

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  • Cas no.103639-04-9 98% Ondansetron hydrochloride

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  • ondansetron hydrochloride

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Specification

The 4H-Carbazol-4-one,1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-,hydrochloride, hydrate (1:1:2) with CAS registry number of 103639-04-9 is also known as Ondansetron hydrochloride. The IUPAC name is 9-Methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one dihydrate hydrochloride. It belongs to classification codes of Anti-anxiety agent; Anti-anxiety agents; Anti-anxiety agents; Antischizophrenic. In addition, the formula is C18H24ClN3O3 and the molecular weight is 365.85. This chemical is a white crystal powder and it is used for the treatment of vomit induced by chemotherapy, radiotherapy or surgery.

Physical properties about 4H-Carbazol-4-one,1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-,hydrochloride, hydrate (1:1:2) are: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 0.19; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 9.85; (6)ACD/KOC (pH 5.5): 4.16; (7)ACD/KOC (pH 7.4): 141.97; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Flash Point: 284 °C; (11)Enthalpy of Vaporization: 82.5 kJ/mol; (12)Boiling Point: 546 °C at 760 mmHg; (13)Vapour Pressure: 5.62E-12 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Furthermore, it is toxic if swallowed. During using it, wear suitable gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.O.O.Cl
2. InChI: InChI=1S/C18H19N3O.ClH.2H2O/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;2*1H2
3. InChIKey: VRSLTNZJOUZKLX-UHFFFAOYSA-N