기본 정보
- CAS
99614-01-4- 표준 SMILES
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl- InChIKey
MKBLHFILKIKSQM-UHFFFAOYSA-N- 분자식
- C18H20ClN3O
- 평균 분자량
- 329.8 g/mol
- 단동위원소 질량
- 329.12949
개요
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.
이름 및 식별자
- 우선 이름
- Ondansetron Hydrochloride
- IUPAC
- 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;hydrochloride
- 현지명
- 옥타네트론염산염
- 영어명
- Ondansetron hydrochloride
- 분자식
- C18H19N3O.ClH
- 분자량
- 329.82
이름 및 동의어
ONDANSETRON HYDROCHLORIDE99614-01-4ONDANSETRON HClZophrenOndansetron HCl dihydrateNSC-665799ZOFRAN PRESERVATIVE FREE2999F27MADSN 307NSC665799Zofran and dextrose in plastic containerOndansetron hydrochloride preservative free
이름 더 보기
옥타네트론염산염sn307ZudanEMesetZofranOsetronGR 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
데이터베이스 식별자
- CAS
99614-01-4- PubChem CID
- 68647
- DTXSID
DTXSID701027913- ChEMBL
CHEMBL1201111、CHEMBL3186492
물성
구조 계산 물성
- 극성 표면적
- 39.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 440
실험 및 물리화학적 성질
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
물리화학적 성질
- 녹는점
- 178.5 · 178.5-179.5°C
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 용해도
- 2 O: · H2O: >5 mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.4 · 7.4(at 25℃)
- 색상
- 하얀색
- 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
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (98.8%)
독성 정보
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).
화학 및 산업
약리 정보
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.
용도 및 제조
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.
응용 분야
용도A specific serotonin (5-HT3) receptor antagonist. Antiemetic.
공급사78 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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