기본 정보
- 표준 SMILES
NCCNC(=O)c1ccc(Cl)cn1- InChIKey
JZXRLKWWVNUZRB-UHFFFAOYSA-N- 분자식
- C8H10ClN3O
- 평균 분자량
- 199.64 g/mol
- 단동위원소 질량
- 199.05123962
개요
Lazabemide is a small molecule drug. Lazabemide has a monoisotopic molecular weight of 199.05 Da.
이름 및 식별자
- 우선 이름
- Lazabemide
- IUPAC
- N-(2-aminoethyl)-5-chloropyridine-2-carboxamide
- 현지명
- 라자베미데
- 영어명
- LAZABEMIDE
- 분자식
- C8H10ClN3O
- 분자량
- 199.64
이름 및 동의어
Lazabemide103878-84-8N-(2-aminoethyl)-5-chloropyridine-2-carboxamideLazabemidaRo 19-6327/000DTXSID2048294Ro-19-6327/000420HD787N9Ro-196327lazabemidumRefChem:924579DTXCID3028269
이름 더 보기
라자베미데Lazabemide hydrateRo 19-6327 hydrateLAZABEMIDE HYDROCHLORIDEN-(2-Aminoethyl)-5-chloro-2-pyridinecarboxamide
N-(2-Aminoethyl)-5-chloropicolinamideRo-19-6327CHEMBL2793902-Pyridinecarboxamide, N-(2-aminoethyl)-5-chloro-N-(2-Aminoethyl)-5-chloro-2-pyridinecarboxamide;N-(2-Aminoethyl)-5-chloro-2-pyridinecarboxamideCCRIS 7301NCGC00167737-01Lazabemide [USAN:INN:BAN]
데이터베이스 식별자
- CAS
103878-84-8- PubChem CID
- 71307
- DTXSID
DTXSID2048294- ChEMBL
CHEMBL279390- UNII
- 420HD787N9
- Nikkaji
- J324.183A
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 68 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 177
물리화학적 성질
- 끓는 점
- 397.4 · 397.4±37.0 °C(Predicted)
- 밀도
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- 저장 조건
- room temp
- 용해도
- 22 mg/mL · DMSO: ≥22mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 12.9 · 12.90±0.46(Predicted)
- 색상
- 흰색에서 황갈색까지
- InChI
- 1S/C8H10ClN3O.H2O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10;/h1-2,5H,3-4,10H2,(H,11,13);1H2
- InChIKey
- JYWYNPKXSLPWGV-UHFFFAOYSA-N
- SMILES
- O.NCCNC(=O)c1ccc(Cl)cn1
안전 및 규제
안전 데이터
- wgk
- 3
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 26
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents used in the treatment of Parkinson's disease. The most commonly used drugs act on the dopaminergic system in the striatum and basal ganglia or are centrally acting muscarinic antagonists.
A chemically heterogeneous group of drugs that have in common the ability to block oxidative deamination of naturally occurring monoamines. (From Gilman, et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p414)
응용 분야
용도Lazabemide hydrate may be used in cell signaling studies.
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