2-Propenamide, N-((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)-3-(3-furanyl)-N-methyl-, hydrochloride (1:1), (2E)-
基本情報
- CAS
152658-17-8- 標準SMILES
CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl- InChIKey
DJSFYNINGIMKAG-FQJQBBMWSA-N- 分子式
- C28H33ClN2O5
- 平均分子量
- 513 g/mol
- 単同位体質量
- 512.2077999
名称と識別子
- 優先名称
- 2-Propenamide, N-((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)-3-(3-furanyl)-N-methyl-, hydrochloride (1:1), (2E)-
- IUPAC
- (E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide;hydrochloride
名称と別名
Nalfurafine hydrochloride152658-17-8TRK-820Nopicor25CC4N0P8J2-Propenamide, N-((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)-3-(3-furanyl)-N-methyl-, hydrochloride (1:1), (2E)-RefChem:831697Nalfurafine HClRemitchNalfurafine (hydrochloride)TRK-820 hydrochloride(E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide;hydrochloride
名称をさらに表示
2-Propenamide,N-[(5a,6b)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(3-furanyl)-N-methyl-, monohydrochloride, (2E)-CHEMBL490665(E)-N-(17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6beta-yl)-3-(furan-3-yl)-N-methylprop-2-enamide monohydrochlorideRemitch (TN)UNII-25CC4N0P8JNalfurafine hydrochloride [USAN](2E)-N-[(5alpha,6beta)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(3-furanyl)-N-methyl-2-propenamide Hydrochloride; (-)-17-(Cyclopropylmethyl)-3,14beta-dihydroxy-4,5alpha-epoxy-6beta-[N-methyl-trans-3-(3-furyl)acrylamido]morphinan Hydrochloride; Remitch; TRK 820;(E)-N-[17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6beta-yl]-3-(furan-3-yl)-N-methylprop-2-enamide monohydrochloride
物性
構造計算による物性
- 極性表面積
- 86.4 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 893
実験および物理化学的性質
Human DrugsBreast Feeding; Lactation; Milk, Human; Antipruritics
Endocrine DisruptorsPotential endocrine disrupting compound
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
関連反応
1 件
化合物ノート
読み込み中…