Deldeprevir Sodium
기본 정보
- CAS
1298053-61-8- 표준 SMILES
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](CC(=O)N5CCCC(F)(F)C5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.[Na+]- InChIKey
KLBYIWFUEHNOSA-ACPQSSBHSA-M- 분자식
- C45H55F2N6NaO8S2
- 평균 분자량
- 933.1 g/mol
- 단동위원소 질량
- 932.33885569
개요
See also: Deldeprevir (has active moiety).
이름 및 식별자
- 우선 이름
- Deldeprevir Sodium
- IUPAC
- sodium cyclopropylsulfonyl-[(1S,4R,6S,7Z,14R,18R)-14-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]azanide
이름 및 동의어
Deldeprevir SodiumNeceprevir sodiumACH-0142684.NaACH-2684 SODIUMACH-0142684 sodiumACH-2684.Na89B8ZLI72B1298053-61-8RefChem:131608Deldeprevir sodium [USAN]Deldeprevir NaNeceprevir sodium [USAN]
이름 더 보기
UNII-89B8ZLI72BDeldeprevir sodium [WHO-DD]CHEMBL3039499ACH-0142684.Na, ACH-2684.NaQ27270034Cyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide, N- (cyclopropylsulfonyl)-6-(2-(3,3-difluoro-1-piperidinyl)-2-oxoethyl)- 1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-((7-methoxy-8-methyl-2-(4-(1- methylethyl)-2-thiazolyl)-4-quinolinyl)oxy)-5,16-dioxo-, sodium salt (1:1), (2R,6R,12Z,13aS,14aR,16aS)-Sodium (cyclopropylsulfonyl)(((2R,6R,12Z,13aS,14aR,16aS)-6-(2-(3,3-difluoropiperidin- 1-yl)-2-oxoethyl)-2-((7-methoxy-8-methyl-2-(4-(1-methylethyl)thiazol-2-yl)quinolin-4- yl)oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a- tetradecahydrocyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecin-14a(5H)- yl)formyl)azanide
데이터베이스 식별자
- CAS
1298053-61-8- PubChem CID
- 56956252
- ChEMBL
CHEMBL3039499- UNII
- 89B8ZLI72B
물성
구조 계산 물성
- 극성 표면적
- 203 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 64
- 형식 전하
- 0
- 복잡도
- 1,860
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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.
Compounds that specifically inhibit PROTEOLYTIC ENZYMES that are encoded by VIRUSES.
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