기본 정보
- CAS
7081-38-1- 표준 SMILES
CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O.O- InChIKey
CNDQSXOVEQXJOE-UHFFFAOYSA-N- 분자식
- C19H22N2O4
- 평균 분자량
- 342.4 g/mol
- 단동위원소 질량
- 342.15795719
개요
Oxyphenbutazone hydrate is a hydrate obtained by combining oxyphenbutazone with one molar equivalent of water. Commonly used to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome. It has a role as an antimicrobial agent, a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, an antineoplastic agent and a gout suppressant. It contains an oxyphenbutazone.
이름 및 식별자
- 우선 이름
- Oxyphenbutazone monohydrate
- IUPAC
- 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione;hydrate
- 영어명
- OXYPHENBUTAZONE HYDRATE
- 분자식
- C19H22N2O4
- 분자량
- 342.39
이름 및 동의어
Oxyphenbutazone hydrate7081-38-1oxyphenbutazone monohydrate4-Butyl-1-(p-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione monohydrate3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-, monohydrateCHEBI:76259RefChem:1094101Oxyphenbutazone (monohydrate)4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione hydrate76576-51-7Tandearil (TN)4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione;hydrate
이름 더 보기
OXYPHENYL BUTAZONE MONOHYDRATEOXYPHENBUTAZONE HYDRATE USP/EP/BPOxyphenbutazone (hydrate) - Bio-X ?Oxyphenbutazone DISCONTINUED (1 g)1-(4-hydroxyphenyl)-4-(3-oxobutyl)-2-phenylpyrazolidin-3-one:hydrate
Oxyphenbutazone (hydrate) - Bio-X trade mark4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione--water (1/1)4-butyl-1-(4-hydroxyphenyl)-2-phenyl-1,2-diazolidine-3,5-dione, hydrate3,5-PYRAZOLIDINEDIONE, 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYL-, HYDRATE (1:1)UNII-H806S4B3NSOxyphenbutazone [USP:INN:BAN]SCHEMBL25854OXYPHENBUTAZONE [IARC]
물성
구조 계산 물성
- 극성 표면적
- 61.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 454
물리화학적 성질
- 녹는점
- 96 °; · 96°; mp 124-125°
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory Information3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-, monohydrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-, monohydrate: Environment tier I assessment
안전 데이터
- risk_code
- 22-36/38-40-42/43
- hazard_code
- Xn
- safety_code
- 22-26-36
화학 및 산업
응용 분야
용도Antiinflammatory; antirheumatic.
공급사8 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
陕西西化化学工业有限公司18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
추가 설명
정의ChEBI: A hydrate obtained by combining oxyphenbutazone with one molar equivalent of water. Commonly used to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome.
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