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기본 정보
- CAS
348622-88-8- 표준 SMILES
NC(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1- InChIKey
ARJCBSRIPGJMAD-LLVKDONJSA-N- 분자식
- C15H24N4O4
- 평균 분자량
- 324.38 g/mol
- 단동위원소 질량
- 324.17975526
이름 및 식별자
- 우선 이름
- (R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-1,2,4-oxadiazole-3-carboxamide
- IUPAC
- 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carboxamide
- 영어명
- 3-(Aminocarbonyl)-β-(3-cyclohexylpropyl)-N-hydroxy-1,2,4-oxadiazole-5-propanamide
- 분자식
- C15H24N4O4
- 분자량
- 324.38
이름 및 동의어
348622-88-8UK-383367UK 383367(R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-1,2,4-oxadiazole-3-carboxamideMFCD19690945CHEMBL2266305-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carboxamideARJCBSRIPGJMAD-LLVKDONJSA-NCS-0414MLS006011234orb1689388SCHEMBL6430715
이름 더 보기
CS-483UK-383367 (UK 383367)UK-383367 DISCONTINUEDUK-383367, 10 mM in DMSO3-(Aminocarbonyl)-β-(3-cyclohexylpropyl)-N-hydroxy-1,2,4-oxadiazole-5-propanamide(R)-5-[6-Cyclohexyl-1-(hydroxyamino)-1-oxo-3-hexyl]-1,2,4-oxadiazole-3-carboxamide(βR)-3-(Aminocarbonyl)-β-(3-cyclohexylpropyl)-N-hydroxy-1,2,4-oxadiazole-5-propanamide5-[(1R)-4-Cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl]-1,2,4-oxadiazole-3-carboxamide
DTXSID30431303EX-A4120YNA62288BDBM50216795AKOS024458022CCG-267751EBC-497101NCGC00346888-01
물성
구조 계산 물성보충 중
- XLogP
- 2.4
- 극성 표면적
- 131 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 401
물리화학적 성질
- 녹는점
- 136 · 136-138℃
- 밀도
- 1.233 · 1.233
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 30 mg/mL · DMSO: >30mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 9.03 · 9.03±0.20(Predicted)
- 색상
- 흰색에서 황백색까지
- InChI
- 1S/C15H24N4O4/c16-13(21)14-17-15(23-19-14)11(9-12(20)18-22)8-4-7-10-5-2-1-3-6-10/h10-11,22H,1-9H2,(H2,16,21)(H,18,20)/t11-/m1/s1
- InChIKey
- ARJCBSRIPGJMAD-LLVKDONJSA-N
- SMILES
- NC(=O)c1noc(n1)[C@H](CCCC2CCCCC2)CC(=O)NO
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, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 3 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도Potent and selective nonpeptidic inhibitor of procollagen C-proteinase (PCP) inhibitor. A potential dermal anti-scarring agent.
공급사61 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [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]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
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