基本情報
- CAS
99614-01-4- 標準SMILES
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl- InChIKey
MKBLHFILKIKSQM-UHFFFAOYSA-N- 分子式
- C18H20ClN3O
- 平均分子量
- 329.8 g/mol
- 単同位体質量
- 329.12949
概要
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.
名称と識別子
- 優先名称
- Ondansetron Hydrochloride
- IUPAC
- 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;hydrochloride
- 現地名
- オンダンセトロン·塩酸塩
- 英語名
- Ondansetron hydrochloride
- 分子式
- C18H19N3O.ClH
- 分子量
- 329.82
名称と別名
ONDANSETRON HYDROCHLORIDE99614-01-4ONDANSETRON HClZophrenOndansetron HCl dihydrateNSC-665799ZOFRAN PRESERVATIVE FREE2999F27MADSN 307NSC665799Zofran and dextrose in plastic containerOndansetron hydrochloride preservative free
名称をさらに表示
塩酸オンダンセトロン1,2,3,9-テトラヒドロ-9-メチル-3-[(2-メチル-1H-イミダゾール-1-イル)メチル]-4H-カルバゾール-4-オン·塩酸塩ゾフランオンダンセトロン塩酸塩オンダンセトロン·塩酸塩GR-38032F1,2,3,9-テトラヒドロ-9-メチル-3-[(2-メチル-1H-イミダゾール-1-イル)メチル]-4H-カルバゾール-4-オン・塩酸塩オンダンセトロン・塩酸塩sn307ZudanEMesetZofranOsetronGR 38032FNSC 665799GR 38032 HCl
DTXSID701027913Setofilm4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-, monohydrochlorideOndansetron hydrochloride and dextrose in plastic containerONDANSETRON HYDROCHLORIDE ANHYDROUSOndemetOndansetron MonohydrochlorideGR-C507/75
物性
構造計算による物性
- 極性表面積
- 39.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 440
実験および物理化学的性質
Solubility47.7 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antiemetics; Gastrointestinal Agents; Serotonin Antagonists; Serotonin 5-HT3 Receptor Antagonists
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
物理化学的性質
- 融点
- 178.5 · 178.5-179.5°C
- 貯蔵温度
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 溶解性
- 2 O: · H2O: >5 mg/mL
- 外見
- 個体
- 酸解離定数(Pka)
- 7.4 · 7.4(at 25℃)
- 色
- 白い
- BCS Class
- 1 · 1 (CLogP), 3 (LogP)
- 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
- SMILES
- O=C1C(CCC2N(C3=CC=CC=C3C=21)C)CN1C=CN=C1C.Cl
- CAS データベース
- 99614 · 99614-01-4
化学的性質
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H301 (98.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 82 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 3 (98.8%)
毒性情報
TreatmentThere is no specific antidote for ondansetron overdose. Patients should be managed with appropriate supportive therapy. (L1712)
Exposure RoutesOndansetron is well absorbed after oral administration and undergoes limited first-pass metabolism.
Toxicity Summary
Ondansetron is a selective serotonin 5-HT<sub>3</sub> receptor antagonist. The antiemetic activity of the drug is brought about through the inhibition of 5-HT<sub>3</sub> receptors present both centrally (medullary chemoreceptor zone) and peripherally (GI tract). This inhibition of 5-HT<sub>3</sub> receptors in turn inhibits the visceral afferent stimulation of the vomiting center, likely indirectly at the level of the area postrema, as well as through direct inhibition of serotonin activity within the area postrema and the chemoreceptor trigger zone.
Signs and SymptomsLow blood pressure and fainting, sudden blindness, severe constipation
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
化学と産業
薬理情報
Metabolism/MetabolitesHepatic
Half Life: 5.7 hours
FDA Pharmacological Classification
ONDANSETRON HCL
Serotonin-3 Receptor Antagonist [EPC]; Serotonin 3 Receptor Antagonists [MoA]
ONDANSETRON HYDROCHLORIDE
Serotonin 3 Receptor Antagonists [MoA]; Serotonin-3 Receptor Antagonist [EPC]
ONDANSETRON TABLETS
Serotonin 3 Receptor Antagonists [MoA]; Serotonin-3 Receptor Antagonist [EPC]
MeSH Pharmacological Classification
Drugs used to prevent NAUSEA or VOMITING.
Agents, usually topical, that relieve itching (pruritus).
Drugs that bind to but do not activate SEROTONIN 5-HT3 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT3 RECEPTOR AGONISTS.
用途と製造
UsesFor the prevention of nausea and vomiting associated with emetogenic cancer chemotherapy, postoperation, and radiation. Also used for the treatment of postoperative nausea and vomiting.
応用分野
使用A specific serotonin (5-HT3) receptor antagonist. Antiemetic.
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