基本情報
- CAS
42504-83-6- 標準SMILES
CN(C)CC/C=C1\c2ccccc2CSc2sccc21- InChIKey
ZLJLUTCIUOCIQM-OVCLIPMQSA-N- 分子式
- C17H19NS2
- 平均分子量
- 301.5 g/mol
- 単同位体質量
- 301.09589196
概要
Dithiadene is an organic heterotricyclic compound that is 4,9-dihydrothieno[2,3-c][2]benzothiepine substituted by a 3-(dimethylamino)propylidene group at position 4. It has a role as a H1-receptor antagonist, a platelet aggregation inhibitor, an anti-allergic agent and an antiemetic. It is an organic heterotricyclic compound, an organosulfur heterocyclic compound, a tertiary amino compound and an olefinic compound.
名称と識別子
- 優先名称
- Dithiaden
- IUPAC
- (3E)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine
名称と別名
DithiadenBisulepinBisulepin [MART.]Bisulepin [WHO-DD]42504-83-6595726R32Ubisulepine(3E)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amineN,N-Dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidenepropylamine1-Propanamine, N,N-dimethyl-3-thieno(2,3-C)(2)benzothiepin-4(9H)-ylidene-4-(3-Dimethylaminopropylidene)-4,9-dihydrobenzo(E)thieno(2,3-b)thiepin1-Propanamine, N,N-dimethyl-3-thieno(2,3-C)(2)benzothiepin-4(9H)-ylidene-, (E)-
名称をさらに表示
N,N-dimethyl-3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepropylamineN,N-Dimethyl-3-(thieno[2,3-c][2]benzothiepin-4(9H)-ylidene)propan-1-amineDTXSID301336166UNII-595726R32UAKOS005065427Q4918616Thieno(2,3-C)(2)benzothiepin-delta4(9H),gamma-propylamine, N,N-dimethyl-(E)-N,N-Dimethyl-3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidene-1-propanamine
データベース識別子
- CAS
42504-83-6- PubChem CID
- 6436111
- DTXSID
DTXSID301336166- ChEBI
CHEBI:167625- UNII
- 595726R32U
- Nikkaji
- J21.372A
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 56.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 353
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