基本情報
- CAS
17617-11-7- 標準SMILES
CN1CCN2CCc3ccccc3C2c2cc(Cl)ccc21- InChIKey
VJIOOEKUNBUDGM-UHFFFAOYSA-N- 分子式
- C18H19ClN2
- 平均分子量
- 298.8 g/mol
- 単同位体質量
- 298.1236763
名称と識別子
- 優先名称
- 2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepine
- IUPAC
- 2-chloro-5-methyl-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzodiazepine
- 現地名
- (+)-5,6,7,9,10,14b-ヘキサヒドロ-2-クロロ-5-メチルイソキノ[2,1-d][1,4]ベンゾジアゼピン
- 英語名
- (+)-5,6,7,9,10,14b-Hexahydro-2-chloro-5-methylisoquino[2,1-d][1,4]benzodiazepine
- 分子式
- C18H19ClN2
- 分子量
- 298.81
名称と別名
2-Chloro-5,6,7,9,10,14b-hexahydro-5-methylisoquino[2,1-d][1,4]benzodiazepine2-Chloro-5,6,7,9,10,14B-hexahydro-5-methylisoquino(2,1-D)(1,4)benzodiazepineRefChem:469126668-119-617617-11-7BRN 06835982-Chloro-5-methyl-6,7,9,10-tetrahydro-5H-isoquino(2,1-d)(1,4)benzodiazepine2-chloro-5-methyl-5,6,7,9,10,14b-hexahydroisoquino[2,1-d][1,4]benzodiazepine48187-65-12-chloro-5-methyl-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzodiazepineD-2-Chloro-5-methyl-6,7,9,10-tetrahydro-5H-isoquino(2,1-d)(1,4)benzodiazepineISOQUINO(2,1-d)(1,4)BENZODIAZEPINE, 5,6,7,9,10,14b-HEXAHYDRO-2-CHLORO-5-METHYL-
名称をさらに表示
(+)-5,6,7,9,10,14b-ヘキサヒドロ-2-クロロ-5-メチルイソキノ[2,1-d][1,4]ベンゾジアゼピン(+)-5,6,7,9,10,14b-Hexahydro-2-chloro-5-methylisoquino[2,1-d][1,4]benzodiazepineIsoquino[2,1-d][1,4]benzodiazepine, 2-chloro-5,6,7,9,10,14b-hexahydro-5-methyl-, (+)- (9CI)
Isoquino(2,1-d)(1,4)benzodiazepine, 5,6,7,9,10,14b-hexahydro-2-chloro-5-methyl-, D-Isoquino(2,1-d)(1,4)benzodiazepine, 5,6,7,9,10,14b-hexahydro-2-chloro-5-methyl-, L-L-2-Chloro-5-methyl-6,7,9,10-tetrahydro-5H-isoquino(2,1-d)(1,4)benzodiazepineDTXSID10938764AKOS02432433647124-18-5TL-004/435191572-Chloro-5-methyl-5,6,7,9,10,14b-hexahydrobenzo[5,6][1,4]diazepino[7,1-a]isoquinoline
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 6.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 374
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
化学と産業
サプライヤー1 社
SIGMAALDRICH—
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