基本情報
- CAS
3735-84-0- 標準SMILES
COc1cc2[nH]c3c(c2cc1OC)CCN1C[C@H]2[C@H](C)OC=C(C(=O)OCCN(C)C)[C@H]2C[C@H]31.Cl.Cl- InChIKey
RDKIYVYHCBJDMF-DGCKWTARSA-N- 分子式
- C26H37Cl2N3O5
- 平均分子量
- 542.5 g/mol
- 単同位体質量
- 541.2110267
概要
Dimethylaminoethyl reserpilinate dihydrochloride is a polymer.
名称と識別子
- 優先名称
- Dimethylaminoethyl Reserpilinate Dihydrochloride
- IUPAC
- 2-(dimethylamino)ethyl (1R,15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;dihydrochloride
名称と別名
dimethylaminoethyl reserpilinate dihydrochloride3735-84-0PyratensiolResporisanUNII-D1301HM9JDD1301HM9JDDimethylaminoethyl reserpilinate dihydrochloride [JAN]Dimethylaminoethyl reserpilinate HClEINECS 223-102-9Reserpilic acid dimethylaminoethyl ester dihydrochlorideDIMETHYLAMINOETHYLRESERPILINATE HCLDIMETHYLAMINOETHYLRESERPILINATE HCL [WHO-DD]
名称をさらに表示
Dimethylaminoethyl reserpilinate dihydrochloride (JAN)RESERPILIC ACID DIMETHYLAMINOETHYL ESTER DIHYDROCHLORIDE [MI]DIMETHYLAMINOETHYL 16,17-DIDEHYDRO-10,11-DIMETHOXY-19.ALPHA.-METHYL-3.BETA.,20.ALPHA.-OXAYOHIMBAN-16-CARBOXYLATE DIHYDROCHLORIDEDimethylaminoethyl 16,17-didehydro-10,11-dimethoxy-19alpha-methyl-3beta,20alpha-oxayohimban-16-carboxylate dihydrochlorideRefChem:134307223-102-9Dimethylaminoethyl 16,17-Didehydro-10,11-Dimethoxy-19Alpha-Methyl-Beta,20Alpha-Oxayohimban-16-Carboxylate DihydrochlorideParatensiol
データベース識別子
- CAS
3735-84-0- PubChem CID
- 71463
- DTXSID
DTXSID30958464- ChEMBL
CHEMBL2447979
物性
構造計算による物性
- 極性表面積
- 76.3 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 7
- 回転可能結合数
- 7
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 776
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…