34433-66-4 (左醋美沙朵,Levacetylmethadol)

CAS号:
34433-66-4
中文名称:
左醋美沙朵
英文名称:
Levacetylmethadol
分子式:
C23H31NO2
分子量:
353.497746706009
简介:
左醋美沙朵是分 子 式为C23H31NO2的化合物。

左醋美沙朵(34433-66-4)名称与标识符

名称

中文别名:
左醋美沙朵;
英文别名:
Levacetylmethadol;Levacetilmetadol;LevomethadylAcetate;Levacetylmethadolum;Levacetilmetadol [inn-spanish];Levacetylmethadolum [inn-latin];(-)-3-Acetyloxy-6-dimethylamino-4,4-diphenylheptane;Benzeneethanol, β-(2-(dimethylamino)propyl)-α-ethyl-β-phenyl-, acetate (ester), (-)-;Levacetylmethadol (INN);3-HEPTANOL, 6-(DIMETHYLAMINO)-4,4-DIPHENYL-, ACETATE (ester), (3S,6S)-(-)-;LEVACETYLMETHADOL [EMA EPAR];(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate;CHEMBL1514;l-alpha-Acetylmethadol;Levoacetyl methadol;(1S,4S)-(6-DIMETHYLAMINO-4,4-DIPHENYL-HEPTAN-3-YL) ACETATE;Levomethadyl acetate [USAN];Levacetylmethadol [INN];34433-66-4;(-)-alpha-Acetylmethadol;GTPL7212;DB01227;DEA No. 9648;alpha-(-)-Acetylmethadol;Benzeneethanol, beta-[2-(dimethylamino)propyl]-alpha-ethyl-beta-phenyl-, acetate (ester), [S-(R*,R*)]-;Levomethadyl acetate;Orlaam;levo-Alphacetylmethadol;LAA-M;1-alpha-Acetylmethadol;UNII-R3B637Y991;benzeneethanol, beta-[(2S)-2-(dimethylamino)propyl]-alpha-ethyl-beta-phenyl-, acetate (ester), (alphaS)-;LAAM;Benzeneethanol, beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate (ester), (S-(R*,R*))-;Benzeneethanol, beta-[(2S)-2-(dimethylamino)propyl]-alpha-ethyl-beta-phenyl-, acetate (ester), (alphaS)- (9CI);NCGC00247347-01;levo-Methadyl acetate;LEVACETYLMETHADOL [MART.];alpha-l-Acetylmethadol;Benzeneethanol, beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate(ester), (-);DTXSID3023211;3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-, acetate (ester), (3S,6S)-(-)- (8CI);LEVACETYLMETHADOL [WHO-DD];[(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate;Benzeneethanol, beta-((2S)-2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate (ester), (alphaS)-;BENZENEETHANOL, .BETA.-(2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-ETHYL-.BETA.-PHENYL-, ACETATE (ESTER), (-)-;1477-40-3;N-alpha-Acetylmethadol;(-)-6-(Dimethylamino)-4,4-diphenyl-3-heptanol acetate (ester);BIDD:GT0373;Levomethadyl;levo-alpha-Acetylmethadol;(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-2-yl acetate;CHEBI:6441;(1S,4S)-4-(dimethylamino)-1-ethyl-2,2-diphenylpentyl acetate;[S-(R*,R*)]-beta-[2-Dimethylamino)propyl]-alpha-ethyl-beta-phenylbenzeneethanol acetate (ester);LEVOMETHADYL ACETATE [MI];R3B637Y991;D04716;SCHEMBL93805;BIDD:PXR0155;Levomethadyl acetate (USAN);Q411799;NS00068555;C08012;

标识符

InChIKey:
XBMIVRRWGCYBTQ-AVRDEDQJSA-N
Inchi:
1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1
SMILES:
O(C(C)=O)[C@@H](CC)C(C1C=CC=CC=1)(C1C=CC=CC=1)C[C@H](C)N(C)C

左醋美沙朵(34433-66-4)物化性质

实验特性

  • LogP : 4.65460
  • PSA : 29.54000

计算特性

  • 精确分子量 : 353.23500
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 9
  • 同位素质量 : 353.235479232g/mol
  • 重原子数量 : 26
  • 复杂度 : 404
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 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) : 4.3
  • 拓扑分子极性表面积 : 29.5Ų

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