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3-氧杂-9-偶氮三环[3.3.1.02,4]壬烷,7-[(2S)-3-羟基-1-氧代-2-苯丙氧基]-9,9-二甲基-(1a,2b,4b,5a,7b)- | 13265-10-6

3-氧杂-9-偶氮三环[3.3.1.02,4]壬烷,7-[(2S)-3-羟基-1-氧代-2-苯丙氧基]-9,9-二甲基-(1a,2b,4b,5a,7b)-结构式图片|13265-10-6结构式图片
3-氧杂-9-偶氮三环[3.3.1.02,4]壬烷,7-[(2S)-3-羟基-1-氧代-2-苯丙氧基]-9,9-二甲基-(1a,2b,4b,5a,7b)-
3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane,7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, (1a,2b,4b,5a,7b)-
13265-10-6
C18H24NO4
318.38746
71183
名称和标识符
InChIKey LZCOQTDXKCNBEE-SSOILNFBSA-N
Inchi InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12?,13-,14+,15+,16?,17?/m1/s1
SMILES OC[C@H](C1=CC=CC=C1)C(OC1C[C@]2(C3OC3[C@]([N+]2(C)C)([H])C1)[H])=O
别名信息
- 中文别名 -
- 英文别名 -
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane,7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, (1a,2b,4b,5a,7b)-
  • Methscopolamine
  • Methylscopolamine
  • (-)-N-Methylscopolamine
  • 1aH,5aH-Tropanium, 6b,7b-epoxy-3a-hydroxy-8-methyl-, (-)-tropate (ester) (8CI)
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, [7(S)-(1a,2b,4b,5a,7b)]-
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, (1a,2b,4b,5a,7b)- (9CI)
  • n-methylscopolamine
  • Tropic acid, (-)-, ester with 6b,7b-epoxy-3a-hydroxy-8-methyl-1aH,5aH-tr
  • D019832
  • N-Methylhyoscine
  • Hyoscine methiodide
  • Methobromide, hyoscine
  • Iodide, N-methylscopolamine
  • Bromide, N-methylscopolamine
  • (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane
  • NMS
  • [3H]NMS
  • Metylskopolamin
  • Pamine
  • N-methyl scopolamine
  • 7-(3-Hydroxy-2-phenyl-propionyloxy)-9,9-dimethyl-3-oxa-9-azonia-tricyclo[3.3.1.0*2,4*]nonane
  • PDSP2_000640
  • (-)-n-methylscopolamine
  • 3C0
  • DTXSID0046931
  • PD062645
  • HSDB 5420
  • 3-OXA-9-AZONIATRICYCLO(3.3.1.02,4)NONANE, 7-(3-HYDROXY-1-OXO-2-PHENYLPROPOXY)-9,9-DIMETHYL-, (7(S)-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.))-
  • BDBM50241132
  • DB11315
  • VDR09VTQ8U
  • CHEMBL376897
  • GTPL316
  • METHSCOPOLAMINE [VANDF]
  • W-108020
  • METHYLSCOPOLAMINE [WHO-DD]
  • Methscopolamine cation
  • [(1S,2S,4R,5R)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
  • CHEMBL3140030
  • [3H]N-methylscopolamine
  • BDBM214800
  • N-methylscopolamine (NMS)
  • CHEBI:135361
  • Methscopolamine ion
  • 3-Oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-
  • methscopolamine
  • 13265-10-6
  • N-Methylscopolamine
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, (1a,2b,4b,5a,7b)
  • GTPL317
  • [3H]N-methyl scopolamine
  • Methyl scopolamine
  • UNII-VDR09VTQ8U
  • 3-OXA-9-AZONIATRICYCLO(3.3.1.02,4)NONANE, 7-((2S)-3-HYDROXY-1-OXO-2-PHENYLPROPOXY)-9,9-DIMETHYL-, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-
  • AB00385828_19
  • Q27087955
  • Bromide, N-Methylscopolamine
  • BDBM50538323
  • (1R,2R,4S,5S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium
  • NS00098775
  • SCHEMBL65398
  • METHYLSCOPOLAMINE
物化性质
实验特性
PSA 59.06
沸点 °Cat760mmHg
闪点 °C
计算特性
精确分子量 318.17062
氢键供体数量 1
氢键受体数量 5
可旋转化学键数量 5
同位素质量 397.088871
重原子数量 24
复杂度 454
同位素原子数量 0
确定原子立构中心数量 4
不确定原子立构中心数量 1
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 2
疏水参数计算参考值(XlogP) 1.3
拓扑分子极性表面积 59.1
专业数据库参考
PubChemId 71183
3-氧杂-9-偶氮三环[3.3.1.02,4]壬烷,7-[(2S)-3-羟基-1-氧代-2-苯丙氧基]-9,9-二甲基-(1a,2b,4b,5a,7b)-推荐生产厂家
960化工网为您提供3-氧杂-9-偶氮三环[3.3.1.02,4]壬烷,7-[(2S)-3-羟基-1-氧代-2-苯丙氧基]-9,9-二甲基-(1a,2b,4b,5a,7b)-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.:13265-10-6,和相关理化性质;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:13265-10-6
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