기본 정보
- CAS
20684-06-4- 표준 SMILES
CCN(CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C.Cl- InChIKey
PDBXHPORMXSXKO-UHFFFAOYSA-N- 분자식
- C20H28ClN5O3
- 평균 분자량
- 421.9 g/mol
- 단동위원소 질량
- 421.1880675
이름 및 식별자
- 우선 이름
- 1H-Purine-2,6-dione, 7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, hydrochloride (1:1)
- IUPAC
- 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
- 현지명
- 바미필린염산염
- 영어명
- bamifylline hydrochloride
- 분자식
- C20H27N5O3.ClH
- 분자량
- 421.926
이름 및 동의어
Bamifylline hydrochloride20684-06-4Bamifylline HCl8102 CBAC 3810DTXSID4048721BAX 2739ZBAX-2739Z66466QLM3S8102-CBAC-3810DTXCID7028647
이름 더 보기
바미필린염산염BriofilBAX2793ZBAX 2793ZBAX-2793ZBAMIPHYLLINE HCLBAMIPHYLLINE HCL (GMP)Bamiphyllinehydrochloride
1H-PURINE-2,6-DIONE, 7-(2-(ETHYL(2-HYDROXYETHYL)AMINO)ETHYL)-3,7-DIHYDRO-1,3-DIMETHYL-8-(PHENYLMETHYL)-, HYDROCHLORIDE (1:1)RefChem:560918243-967-6Bamifylline hydrochloride [USAN]3736-86-58-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride1H-Purine-2,6-dione, 7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-, monohydrochlorideTrentadil
데이터베이스 식별자
- CAS
20684-06-4、3736-86-5- PubChem CID
- 68549
- DTXSID
DTXSID4048721- ChEMBL
물성
구조 계산 물성
- 극성 표면적
- 81.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 554
물리화학적 성질
- 녹는점
- 185 · 185-186°
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]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Sens. 1 (50%)
안전 데이터
- 독성
- LD50 in mice, rats (mg/kg): 246, 1139 orally; 89, 131 i.p.; 67, 65 i.v. (Georges)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
Drugs used to cause dilation of the blood vessels.
응용 분야
용도Bronchodilator.
상·하류 제품 정보
상류 원료
공급사12 곳
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梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Anhui Ruihan Technology Co., Ltd+undefined17756083858 · [email protected]
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