Zofran
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기본 정보
- CAS
103639-04-9- 표준 SMILES
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O.O- InChIKey
VRSLTNZJOUZKLX-UHFFFAOYSA-N- 분자식
- C18H24ClN3O3
- 평균 분자량
- 365.9 g/mol
- 단동위원소 질량
- 365.15061931
개요
Ondansetron hydrochloride is a member of carbazoles.
이름 및 식별자
- 우선 이름
- Zofran
- IUPAC
- 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;dihydrate;hydrochloride
- 영어명
- Ondansetron hydrochloride
- 분자식
- C18H22ClN3O2
- 분자량
- 347.84
이름 및 동의어
ZofranRefChem:934563Ondansetron hydrochloride dihydrate103639-04-9Ondansetron hydrochloride hydrateSetrodonDTXSID90488579-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;dihydrate;hydrochlorideGR-38032FMFCD00374371CHEBI:7774DTXCID6028783
이름 더 보기
AKOS NCG1-0013ondansetron hydOndansetronHclUsp28Ondansetron hydrochlODANSETRON HYDROCHLORIDEOndansetron hydrochloridOndansetronHClmonohydrateOndansetron hydrochlorideGR 38032SN 307NSC 665799Ondansetron impurity A CRS
Ondansetron (hydrochloride dihydrate)9-Methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride dihydrateKS-1091ONDANSETRON HYDROCHLORIDE [MART.]CAS-103639-04-94H-Carbazol-4-one,1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-,monohydrochloride, dihydrateUNII-NMH84OZK2BZensana
데이터베이스 식별자
- CAS
103639-04-9- PubChem CID
- 59774
- DTXSID
DTXSID9048857- ChEBI
CHEBI:7774- UNII
- NMH84OZK2B
- EC Number
- 600-465-5
물성
구조 계산 물성보충 중
- 극성 표면적
- 41.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 440
실험 및 물리화학적 성질
Human DrugsBreast Feeding; Lactation; Milk, Human; Antiemetics; Gastrointestinal Agents; Serotonin Antagonists; Serotonin 5-HT3 Receptor Antagonists
물리화학적 성질
- 녹는점
- 231 · 231-232 C
- 저장 조건
- -20 °C · -20°C
- 용해도
- 2 O: · H2O: >5mg/mL
- 물리적 상태
- 가루
- 색상
- 하얀색
- 수용성
- 2 O: · H2O: >5mg/mL
- InChI
- InChI=1S/C18H19N3O.ClH.H2O/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;1H2
- InChIKey
- FELGMEQIXOGIFQ-ZDUSSCGKSA-N
- SMILES
- O=C1C(CCC2N(C)C3=CC=CC=C3C1=2)CN1C=CN=C1C.Cl.O
화학적 성질
White or almost white powder.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P305+P354+P338, P317, P321, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 117 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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
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
개요Ondansetron hydrochloride is a selective 5HT3-antagonist approved for the management of nausea and vomiting induced by cancer chemotherapy and radiotherapy. It is reported to have a superior side-effect profile compared with metoclopramide, representing an important advance in the treatment of nausea and vomiting associated with chemotherapy. Ondansetron hydrochloride is the first specific 5HT3-antagonist to reach the market. It is also under investigation for a number of other indications, including anxiety and schizophrenia.
용도Ondansetron hydrochloride dihydrate has been used as a 5-HT3 antagonist to attenuate rostro ventromedial medulla (RVM)/cholecystokinin (CCK)-induced mechanical hypersensitivity and to block the effects of trichostatin A (TSA) on 5-HT3 protein.
일반 설명Ondansetron Hydrochloride acts as a 5HT3 (serotonin) antagonist and is a powerful antiemetic drug. It is widely used for the prevention and treatment of nausea and vomiting related to post-operative states, cancer chemotherapy and radiotherapy, and chronic medical illness. It has been found to exhibit inconsistent bioavailability resulting from its poor aqueous solubility and high first-pass hepatic metabolism.Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
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