1477-40-3 (苯乙醇,b-[(2S)-2-(二甲氨基)丙基]-a-乙基-b-苯基-,1-乙酸酯,(aS)-,Benzeneethanol, b-[(2S)-2-(dimethylamino)propyl]-a-ethyl-b-phenyl-, 1-acetate, (aS)-)

CAS号:
1477-40-3
中文名称:
苯乙醇,b-[(2S)-2-(二甲氨基)丙基]-a-乙基-b-苯基-,1-乙酸酯,(aS)-
英文名称:
Benzeneethanol, b-[(2S)-2-(dimethylamino)propyl]-a-ethyl-b-phenyl-, 1-acetate, (aS)-
分子式:
C23H31NO2
分子量:
353.497746706009

苯乙醇,b-[(2S)-2-(二甲氨基)丙基]-a-乙基-b-苯基-,1-乙酸酯,(aS)-(1477-40-3)名称与标识符

名称

中文别名:
左醋美沙朵;
英文别名:
Benzeneethanol, b-[(2S)-2-(dimethylamino)propyl]-a-ethyl-b-phenyl-, 1-acetate, (aS)-;(3S,6S)-6-(Dimethylamino)-4,4-diphenyl-3-heptanyl acetate;LAAM;(-)-6-(Dimethylamino)-4,4-diphenyl-3-heptanol acetate (ester);(-)-alpha-Acetylmethadol;1-alpha-Acetylmethadol;3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-, acetate (ester), (3S,6S)-(-)-;alpha-(-)-Acetylmethadol;alpha-l-Acetylmethadol;Benzeneethanol, beta-((2S)-2-(dimethylamino)propyl)-alpha-ethyl-bet;Levacetylmethadol [INN];levo-alpha-Acetylmethadol;Methadyl acetate;N-alpha-Acetylmethadol;UNII-QZH7WR4VKJ;UNII-R3B637Y991;C08012;XBMIVRRWGCYBTQ-AVRDEDQJSA-N;[(3S,6S)-6-dimethylamino-4,4-diphenyl-heptan-3-yl] acetate;GTPL7212;3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-, acetate (ester), (3S,6S)-(-)- (8CI);Q411799;Benzeneethanol, beta-[2-(dimethylamino)propyl]-alpha-ethyl-beta-phenyl-, acetate (ester), [S-(R*,R*)]-;levo-Methadyl acetate;BIDD:PXR0155;benzeneethanol, beta-[(2S)-2-(dimethylamino)propyl]-alpha-ethyl-beta-phenyl-, acetate (ester), (alphaS)-;DTXSID3023211;LEVACETYLMETHADOL [WHO-DD];[S-(R*,R*)]-beta-[2-Dimethylamino)propyl]-alpha-ethyl-beta-phenylbenzeneethanol acetate (ester);Levacetilmetadol [INN-Spanish];R3B637Y991;Benzeneethanol, beta-((2S)-2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate (ester), (alphaS)-;Levomethadyl acetate [USAN];LEVACETYLMETHADOL [MART.];Levacetylmethadolum;CHEBI:6441;NCGC00247347-01;Levomethadyl acetate;LAA-M;LEVOMETHADYL ACETATE [MI];[(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate;FT-0700555;Levomethadyl;(1S,4S)-4-(dimethylamino)-1-ethyl-2,2-diphenylpentyl acetate;Levomethadyl acetate (USAN);D04716;BIDD:GT0373;levo-Alphacetylmethadol;CHEMBL1514;(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate;Benzeneethanol, beta-[(2S)-2-(dimethylamino)propyl]-alpha-ethyl-beta-phenyl-, acetate (ester), (alphaS)- (9CI);LEVACETYLMETHADOL [EMA EPAR];NS00068555;Benzeneethanol, beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate (ester), (S-(R*,R*))-;DB01227;1477-40-3;Levacetylmethadol;l-alpha-Acetylmethadol;DEA No. 9648;SCHEMBL93805;Benzeneethanol, beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate(ester), (-);(1S,4S)-(6-DIMETHYLAMINO-4,4-DIPHENYL-HEPTAN-3-YL) ACETATE;(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-2-yl acetate;Levacetylmethadolum [INN-Latin];Orlaam;34433-66-4;BENZENEETHANOL, .BETA.-(2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-ETHYL-.BETA.-PHENYL-, ACETATE (ESTER), (-)-;Levacetylmethadol (INN);Levoacetyl methadol;Levacetilmetadol;

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

苯乙醇,b-[(2S)-2-(二甲氨基)丙基]-a-乙基-b-苯基-,1-乙酸酯,(aS)-(1477-40-3)物化性质

实验特性

  • LogP : 4.65460
  • PSA : 29.54
  • 折射率 : 1.5614 (estimate)
  • 沸点 : 486.9°C (rough estimate)
  • 闪点 : 130ºC
  • 密度 : 1.0678 (rough estimate)

计算特性

  • 精确分子量 : 353.23563
  • 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 : 353.235
  • 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 : 29.5A^2

苯乙醇,b-[(2S)-2-(二甲氨基)丙基]-a-乙基-b-苯基-,1-乙酸酯,(aS)-(1477-40-3)安全信息

苯乙醇,b-[(2S)-2-(二甲氨基)丙基]-a-乙基-b-苯基-,1-乙酸酯,(aS)-(1477-40-3)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单

苯乙醇,b-[(2S)-2-(二甲氨基)丙基]-a-乙基-b-苯基-,1-乙酸酯,(aS)-(1477-40-3)相关文献