(1S,2R)-1-フェニル-2-(メチルアミノ)プロパン-1-オール

d-Ephedrine

HCID 9457

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 321-98-2
標準SMILES: CN[C@H](C)[C@@H](O)c1ccccc1
InChIKey: KWGRBVOPPLSCSI-PSASIEDQSA-N
分子式: C10H15NO
平均分子量: 165.23 g/mol
単同位体質量: 165.1153641

名称と識別子

優先名称: d-Ephedrine
IUPAC: (1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
現地名: (1S,2R)-1-フェニル-2-(メチルアミノ)プロパン-1-オール
英語名: (+)EPHEDRINE HEMIHYDRATE
分子式: C10H15NO
分子量: 165.23

名称と別名

d-Ephedrine(+)-EphedrineL-(+)-Ephedrine321-98-2(1S,2R)-Ephedrine(1S,2R)-2-(methylamino)-1-phenylpropan-1-olEPHEDRINE, (+)-D-(-)-EphedrineEphedrine, D-(-)-NIOSH/KB065000072087NSY56( inverted exclamation markA)-Ephedrine

名称をさらに表示

(+)-エフェドリン(1S,2R)-1-フェニル-2-メチルアミノ-1-プロパノール(+)-L-エフェドリンd-エフェドリン(1S,2R)-(+)-エフェドリン(1S,2R)-2-(メチルアミノ)-1-フェニル-1-プロパノール[S,(+)]-α-[(R)-1-(メチルアミノ)エチル]ベンゼンメタノールL-(+)-エフェドリン(1S,2R)-1-フェニル-2-(メチルアミノ)プロパン-1-オール(1S,2R)-1-フェニル-2-(メチルアミノ)-1-プロパノール(S)-α-[(R)-1-(メチルアミノ)エチル]ベンゼンメタノール(αS)-α-[(R)-1-(メチルアミノ)エチル]ベンゼンメタノール(1s,2r)-(+)-ephedrineEphedrine Impurity 1Ephedrine, (+)- (8CI)D-(+)-EPHEDRINE HEMIHYDRATEKWGRBVOPPLSCSI-PSASIEDQSA-N(1S,2R)-(+)-ephedrine, anhydre1-(S),2-(R)-erythro-(+)-Ephedrine

KB06500000(+)-Ephedrin(+)-(1s,2r)-ephedrineEphedrine DL-form(+)-Ephedrine anhydrousBenzenemethanol, .alpha.-[(1R)-1-(methylamino)ethyl]-, (.alpha.S)-rel-(+-)-Ephedrine2-Methylamino-1-phenylpropan-1-ol

データベース識別子

CAS: 321-98-2、90-81-3
PubChem CID: 9457
UNII: 03VRY66076、72087NSY56
EC Number: 206-293-3
Nikkaji: J59.191B

物性

構造計算による物性

XLogP: 0.9
極性表面積: 32.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 121

実験および物理化学的性質

Kovats Retention Index · 3 件

1376；1350；1360；1360；1350；1360；1354；1350；1350；1360；1354

1318.4；1370.9；1357；1362；1367；1397；1398；1400

2185；2195；2205；2213；2217；2225

物理化学的性質

融点: 40 °C · 40°C
沸点: 293.09 °C · 293.09°C (rough estimate)
比重(密度): 1.0203 · 1.0203 (rough estimate)
屈折率: 1.482 · 1.4820 (estimate)
酸解離定数(Pka): 10.139 · 10.139(at 10℃)
EPAの化学物質情報: 1 R)-1- · Benzenemethanol, .alpha.-[(1R)-1-(methylamino)ethyl]-, (.alpha.S)- (321-98-2)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Other Safety InformationIMAP assessments - Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-, [S-(R*,S*)]-: Environment tier I assessment；IMAP assessments - Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-, [S-(R*,S*)]-: Human health tier I assessment

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing InformationBenzenemethanol, .alpha.-[(1R)-1-(methylamino)ethyl]-, (.alpha.S)-: ACTIVE

応用分野 · 1 件

一般的な説明The pharmacological activity of(1R,2S)-D-(-)-ephedrine resembles that of E. The drug actson both α- and β-receptors. Its ability to activate β-receptorsprobably accounted for its earlier use in asthma. It is theclassic example of a sympathomimetic with a mixed mechanismof action.