Basic information
- CAS
676479-06-4- Standard SMILES
CC(=O)N[C@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1- InChIKey
VMAVCCUQTALHOB-INIZCTEOSA-N- Molecular formula
- C19H19FN2O3
- Average molar mass
- 342.4 g/mol
Overview
Sembragiline is a small molecule drug. The usage of the INN stem '-giline' in the name indicates that Sembragiline is a monoamine oxydase (MAO)-inhibitor type B. Sembragiline has a monoisotopic molecular weight of 342.14 Da.
Names & identifiers
- Preferred name
- Sembragiline
- IUPAC
- N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamide
- English name
- N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamide
- Molecular formula
- C19H19FN2O3
- Molecular weight
- 342.3641632
Names & synonyms
Sembragiline676479-06-4RG1577SembragilinaK3W9672PNJRG-1577sembragilinumRefChem:931607Sembragiline [INN]Sembragiline [USAN:INN]UNII-K3W9672PNJRO4602522
Show more names
EVT302EVT-302RO-4602522
N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamideSembragiline (USAN/INN)SEMBRAGILINE [USAN]SEMBRAGILINE [WHO-DD]orb1699329SCHEMBL2440939CHEMBL3707394SCHEMBL29361249
Database identifiers
- CAS
676479-06-4- PubChem CID
- 10246762
- ChEMBL
CHEMBL3707394- UNII
- K3W9672PNJ
- Nikkaji
- J3.723.313G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- FDA UNII
- 3 W9672PNJ · K3W9672PNJ
Chemistry & industry
Applications
UsesSembragiline is a potent, selective, and reversible inhibitor of monoamine oxidase B (MAO-B), developed as a potential treatment for Alzheimer''s disease.
Suppliers15 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
长沙福臻生物科技有限公司15111215862 18229892877 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
2 records
Compound notes
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