Adarigiline
기본 정보
- CAS
1124197-79-0- 표준 SMILES
Cc1c(-c2ccc(C(=O)N3CCC(O)CC3)s2)noc1C(F)(F)F- InChIKey
VXBWTNLAIBIATJ-UHFFFAOYSA-N- 분자식
- C15H15F3N2O3S
- 평균 분자량
- 360.4 g/mol
- 단동위원소 질량
- 360.075548
개요
Adarigiline is a small molecule drug. The usage of the INN stem '-giline' in the name indicates that Adarigiline is a monoamine oxydase (MAO)-inhibitor type B. Adarigiline has a monoisotopic molecular weight of 360.08 Da.
이름 및 식별자
- 우선 이름
- Adarigiline
- IUPAC
- (4-hydroxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
이름 및 동의어
Adarigiline1124197-79-0Adarigiline [INN]YRT54V76ZYUNII-YRT54V76ZYadarigilinaadarigilinumRefChem:109654(4-HYDROXYPIPERIDIN-1-YL)(5-(4-METHYL-5-(TRIFLUOROMETHYL)-1,2-OXAZOL-3-YL)THIOPHEN-2-YL)METHANONE(4-hydroxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone(4-Hydroxypiperidin-1-yl)(5-(4-methyl-5-(trifluoromethyl)- 1,2-oxazol-3-yl)thiophen-2-yl)methanone1,2-oxazol-3-yl]thiophen-2-yl}methanone
이름 더 보기
orb1701254SCHEMBL3250269(4-hydroxypiperidin-1-yl){5-[4-methyl-5-(trifluoromethyl)-AKOS040747766T26562(4-Hydroxy-piperidin-1-yl)-[5-(4-methyl-5-trifluoromethyl-isoxazol-3-yl)-thiophen-2-yl]-methanone
데이터베이스 식별자
- CAS
1124197-79-0- PubChem CID
- 25211190
- UNII
- YRT54V76ZY
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 94.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 471
관련 반응
3건
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