Tecovirimat monohydrate

HCID 90479083
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1162664-19-8
표준 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
분자식
C19H17F3N2O4
평균 분자량
394.3 g/mol

개요

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.)

이름 및 식별자

우선 이름
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
영어명
Tecovirimat Monohydrate
분자식
C19H15F3N2O3.H2O
분자량
394.35

이름 및 동의어

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적
67.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
1
무거운 원자 수
28

실험 및 물리화학적 성질

Human DrugsEMA approved medicines: Human medicine

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

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 · 1건

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.

공급사13 곳

山东科立康药业有限公司053-88113608 17854192669
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]

관련 반응

1건
반응 기록 만들기

화합물 노트

불러오는 중…