기본 정보
- CAS
30544-61-7- 표준 SMILES
COc1ccc(N(CCCC(=O)O)C(=O)c2ccc(Cl)cc2)cc1- InChIKey
VUPBWNXFSDRWJE-UHFFFAOYSA-N- 분자식
- C18H18ClNO4
- 평균 분자량
- 347.8 g/mol
- 단동위원소 질량
- 347.0924357
이름 및 식별자
- 우선 이름
- Clanobutin
- IUPAC
- 4-(N-(4-chlorobenzoyl)-4-methoxyanilino)butanoic acid
- 현지명
- 클라노부틴
- 영어명
- clanobutin
- 분자식
- C18H18ClNO4
- 분자량
- 347.79
이름 및 동의어
Clanobutin30544-61-7ClanobutineBykaheparClanobutinaClanobutinum4-(p-Chloro-N-(p-methoxyphenyl)benzamido)butyric acidW6Y945055S4-((4-Chlorobenzoyl)(4-methoxyphenyl)amino)butanoic acidDTXSID10184628RefChem:1267684-(4-chloro-N-(4-methoxyphenyl)benzamido)butyric acid
이름 더 보기
클라노부틴Clanobutin sodiuMB-6518Lidan butyric acidIntermediate Impurity 794-(N-(4-chlorobenzoyl)-4-methoxyanilino)butanoicaci4-[p-Chlorobenzoyl(p-methoxyphenyl)amino]butyric acid4-(4-Chloro-N-(4-methoxyphenyl)benzamido)butanoic acid4-[(4-Chlorobenzoyl)(4-methoxyphenyl)amino]butyric acid
DTXCID50107119250-232-3Clanobutin [INN]4-(N-(4-chlorobenzoyl)-4-methoxyanilino)butanoic acidButanoic acid, 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]-Clanobutin (INN)Butanoic acid, 4-((4-chlorobenzoyl)(4-methoxyphenyl)amino)-Clanobutine [INN-French]
데이터베이스 식별자
- CAS
30544-61-7- PubChem CID
- 35378
- DTXSID
DTXSID10184628- ChEMBL
CHEMBL2107589- ChEBI
CHEBI:135471- UNII
- W6Y945055S
- EC Number
- 250-232-3
- Nikkaji
- J20.282G
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 415
물리화학적 성질
- 녹는점
- 115 · 115-116°
- 끓는 점
- 562.4 · 562.4±50.0 °C(Predicted)
- 밀도
- 1.1976 · 1.1976 (rough estimate)
- 굴절률
- 1.68 · 1.6800 (estimate)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 5.04 · 5.04(at 25℃)
- 색상
- 흰색에서 황백색까지
- 수용성
- 44.17 mg/L · 44.17mg/L(37℃)
- InChI
- InChI=1S/C18H18ClNO4/c1-24-16-10-8-15(9-11-16)20(12-2-3-17(21)22)18(23)13-4-6-14(19)7-5-13/h4-11H,2-3,12H2,1H3,(H,21,22)
- InChIKey
- VUPBWNXFSDRWJE-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCN(C(=O)C1=CC=C(Cl)C=C1)C1=CC=C(OC)C=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 1 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
Other Safety InformationIMAP assessments - Butanoic acid, 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]-: Environment tier I assessment；IMAP assessments - Butanoic acid, 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- 독성
- LD50 in rats (mg/kg): >2000 orally; 570 i.v. (Klemm)
화학 및 산업
약리 정보
ATC Code
QA - Alimentary tract and metabolism；QA16 - Other alimentary tract and metabolism products；QA16Q - Other alimentary tract and metabolism products for veterinary use；QA16QA - Drugs for prevention and/or treatment of acetonemia；QA16QA05 - Clanobutin
응용 분야
용도Clanobutin inhibits gluconeogenesis in isolated perfused rat livers. it is a a choleretic and digestion-stimulating agent for animals.
공급사31 곳
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
深圳市思美泉生物科技有限公司17683743113;18038040196 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
上海兴鲁化工科技有限公司02120970332 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
泰安嘉岳生物化工有限公司
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