672-21-9 (((1α,2β,4β,5α,7β)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride)

快速询单

结构式：

(1α,2β,4β,5α,7β)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochlorideMOL文件

CAS号：

672-21-9

英文名称：

(1α,2β,4β,5α,7β)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride

分子式：

C₁₇H₂₂BrNO₄

分子量：

384.264884471893

(1α,2β,4β,5α,7β)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride(672-21-9)名称与标识符

名称

英文别名：

(1alpha,2beta,4beta,5alpha,7beta)-(1)-9-Methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl (hydroxymethyl)phenylacetate hydrochloride;9-methyl-3-oxa-9-azatricyclo[3.3.1.0 2,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate hydrobromide;)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride;,2β,4β,5α,7β1BT935HYHI;(+/-)scopolamine hydrobromide;AKOS030504166;SCOPOLAMINE HYDROBROMIDE SALT;672-21-9;UNII-1BT935HYHI;SCOPOLAMINE HYDROBROMIDE, (+/-)-;Atroscine Hydrobromide;114-49-8;EINECS 211-591-1;TROPAN-3-OL, 6,7-EPOXY-, TROPATE (ESTER), HYDROBROMIDE;Q27896650;

标识符

InChIKey：

WTGQALLALWYDJH-BKODDQECSA-N

Inchi：

1S/C17H21NO4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12?,13-,14+,15-,16+;

SMILES：

Br.O1[C@@H]2[C@H]3CC(C[C@@H]([C@H]12)N3C)OC(C(C1C=CC=CC=1)CO)=O

(1α,2β,4β,5α,7β)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride(672-21-9)物化性质

计算特性

精确分子量 : 208.170139
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 4
同位素质量 : 208.170139
重原子数量 : 15
复杂度 : 176
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.1
拓扑分子极性表面积 : 9.2

(1α,2β,4β,5α,7β)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride(672-21-9)相关文献

1. Solid-state stereochemistry of anhydrous (–)-scopolamine hydrobromide
Robert Glaser,Jean-Pierre Charland,André Michel J. Chem. Soc. Perkin Trans. 2 1989 1875
2. Enantiomeric separation and simulation study of eight anticholinergic drugs on an immobilized polysaccharide-based chiral stationary phase by HPLC
Meng Li,Bo Zhang,Jia Yu,Jian Wang,Xingjie Guo New J. Chem. 2018 42 11724
3. Electrochemiluminescent sensors as a screening strategy for psychoactive substances within biological matrices
Kelly Brown,Charlotte Jacquet,Julien Biscay,Pamela Allan,Lynn Dennany Analyst 2020 145 4295
4. Serum lipidomics reveal the mechanism of memory disorder improvement by Qifu decoction
Fanying Deng,Fuxia Zhao,Wenhui Wang,Shiqi Liu,Yan Wang Anal. Methods 2023 15 4663
5. Identification of new inhibitors of NS5 from dengue virus using saturation transfer difference (STD-NMR) and molecular docking studies
Asmat Ullah,Atia-tul-Wahab,Peng Gong,Abdul Mateen Khan,M. Iqbal Choudhary RSC Adv. 2023 13 355
6. The crystal structure of (–)-(S)-hyoscine hydrobromide
Peter Pauling,Trevor J. Petcher J. Chem. Soc. D 1969 1001
7. Nuclear magnetic resonance study of the conformations of atropine and scopolamine cations in aqueous solution
James Feeney,Robin Foster,E. Anthony Piper J. Chem. Soc. Perkin Trans. 2 1977 2016
8. One-pot oxidative N-demethylation of tropane alkaloids with hydrogen peroxide and a FeIII-TAML catalyst
Duy D. Do Pham,Geoffrey F. Kelso,Yuanzhong Yang,Milton T. W. Hearn Green Chem. 2012 14 1189
9. 478. The stereochemistry of the tropane alkaloids. Part III. The configuration of scopolamine and of valeroidine
Gábor Fodor,?d?n Kovács J. Chem. Soc. 1953 2341
10. NMR studies of organic polymorphs & solvates
Robin K. Harris Analyst 2006 131 351

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960化工网为您提供(1α,2β,4β,5α,7β)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.672-21-9,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:672-21-9 国际站:672-21-9

672-21-9 (((1&#x3B1;,2&#x3B2;,4&#x3B2;,5&#x3B1;,7&#x3B2;)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride)

(1&#x3B1;,2&#x3B2;,4&#x3B2;,5&#x3B1;,7&#x3B2;)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride(672-21-9)名称与标识符

名称

标识符

(1&#x3B1;,2&#x3B2;,4&#x3B2;,5&#x3B1;,7&#x3B2;)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride(672-21-9)物化性质

计算特性

(1&#x3B1;,2&#x3B2;,4&#x3B2;,5&#x3B1;,7&#x3B2;)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride(672-21-9)相关文献

目录

672-21-9 (((1α,2β,4β,5α,7β)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride)

(1α,2β,4β,5α,7β)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride(672-21-9)名称与标识符

(1α,2β,4β,5α,7β)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride(672-21-9)物化性质

(1α,2β,4β,5α,7β)-()-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate hydrochloride(672-21-9)相关文献