기본 정보
- 표준 SMILES
Cl.O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O- InChIKey
DIOIOSKKIYDRIQ-UHFFFAOYSA-N- 분자식
- C17H19ClFN3O3
- 평균 분자량
- 367.8 g/mol
- 단동위원소 질량
- 367.1098973
이름 및 식별자
- 우선 이름
- Ciprofloxacin Hydrochloride Anhydrous
- IUPAC
- 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
- 영어명
- Ciprofloxacin hydrochloride
- 분자식
- C17H18FN3O3.xHCl
- 분자량
- 367.81
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
86483-48-9、93107-08-5- PubChem CID
- 62999
- DTXSID
DTXSID1047788- ChEBI
CHEBI:310388- UNII
- 0MP32MFP6C
- EC Number
- 642-985-5
물성
구조 계산 물성
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 571
물리화학적 성질
- 녹는점
- 300 °C · >300 °C
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- BCS Class
- 3 · 3/1
- InChI
- InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H
- InChIKey
- DIOIOSKKIYDRIQ-UHFFFAOYSA-N
- SMILES
- O=C1C(=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C12)C(=O)O.Cl
안전 및 규제
GHS 분류
GHS Classification
Danger
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H334 (66.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (33.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (66.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 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
안전 데이터
- HS 번호
- 29419000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that inhibit the growth or reproduction of BACTERIA.
Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II.
Drugs and compounds which inhibit or antagonize the biosynthesis or actions of CYTOCHROME P-450 CYP1A2.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의ChEBI: The anhydrous form of the monohydrochloride salt of ciprofloxacin.
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