CAS 1162664-19-8 Tecovirimat monohydrate (HCID 90479083)

基本情報

CAS: 1162664-19-8
標準SMILES: O.O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@@H]2C1=O)c1ccc(C(F)(F)F)cc1
InChIKey: QRHXYGPOQKLBJP-NPIFKJBVSA-N
分子式: C19H17F3N2O4
平均分子量: 394.3 g/mol

概要

Tecovirimat is an antiviral prescription medicine approved by the U.S. Food and Drug Administration(FDA) for the treatment of smallpox in adults and children. (Smallpox is a disease caused by the variola virus, a member of a group of viruses called Orthopoxvirus. Since 1980, smallpox has been considered eradicated worldwide.)

名称と識別子

優先名称: Tecovirimat monohydrate
IUPAC: N-[(1R,2R,6S,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide;hydrate
英語名: Tecovirimat Monohydrate
分子式: C19H15F3N2O3.H2O
分子量: 394.35

名称と別名

Tecovirimat monohydrateST-246 monohydrate1162664-19-8SB96YO2BR8Benzamide, N-((3aR,4R,4aR,5aS,6S,6aS)-3,3a,4,4a,5,5a,6,6a-octahydro-1,3-dioxo-4,6-ethenocycloprop(F)isoindol-2(1H)-yl)-4-(trifluoromethyl)-, hydrate (1:1), rel-RefChem:58027Tecovirimat monohydrate [MI]UNII-SB96YO2BR8Tecovirimat hydrateTecovirimat (monohydrate)ST246 hyrateorb2702726

名称をさらに表示

テコビリマト水和物

CHEMBL5315121SCHEMBL30702765GLXC-21217HY-14805AAKOS040742701Tecovirimat Monohydrate - API StandardsTECOVIRIMAT MONOHYDRATE [WHO-DD]CS-0066577

データベース識別子

CAS: 1162664-19-8
PubChem CID: 90479083
ChEMBL: CHEMBL5315121
UNII: SB96YO2BR8

物性

構造計算による物性

極性表面積: 67.5 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 1
重原子数: 28
形式電荷: 0
複雑度: 705

実験および物理化学的性質

Human DrugsEMA approved medicines: Human medicine

化学と産業

薬理情報

FDA Pharmacological Classification · 2 件

TECOVIRIMAT MONOHYDRATE

Cytochrome P450 3A Inducers [MoA]; Cytochrome P450 2C8 Inhibitors [MoA]; Orthopoxvirus VP37 Envelope Wrapping Protein Inhibitor [EPC]; Cytochrome P450 2C19 Inhibitors [MoA]; Breast Cancer Resistance Protein Inhibitors [MoA]

MeSH Pharmacological Classification · 1 件

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

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化合物ノート

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