87-00-3 (后马托品,(1R,3R,5S)-8-methyl-8-azabicyclo3.2.1octan-3-yl 2-hydroxy-2-phenylacetate)

CAS号:
87-00-3
中文名称:
后马托品
英文名称:
(1R,3R,5S)-8-methyl-8-azabicyclo3.2.1octan-3-yl 2-hydroxy-2-phenylacetate
分子式:
C16H21NO3
分子量:
275.342844724655
简介:
合成抗胆碱药,阻断乙酰胆碱,使瞳孔括约肌和睫状肌麻痹引起散瞳,用于眼科检查验光。临床用于散瞳。
本品为合成胆碱受体阻滞剂,抗胆碱作用同阿托品,具有扩大瞳孔和调节麻痹作用,作用与毒性较阿托品弱,其作用时间较阿托品快而短,散瞳后1-2日即可恢复(阿托品需7-10日)。亦可滴用毒扁豆碱使其作用消失。通常5-20分钟开始散瞳,30-90分钟达高峰,维持18-20小时,12-36小时恢复正常。

后马托品(87-00-3)名称与标识符

名称

中文别名:
后马托品;苯基羟乙酰托品碱;8-甲基-8-氮杂双环[3.2.1]辛烷-3-醇羟基(苯基)乙酸酯;扁桃酰托品碱;
英文别名:
Homotropine;8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate;[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;Homatropine;HOMATROPINE(RG);8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester;DL-mandelic acid-tropane-3endo-yl ester;DL-Mandelsaeure-tropan-3endo-ylester;Homatropin;Homatropine [BAN];homatropine hydrobromide;Homoatropine;Mandelyltropeine;Mandelytropeine;Methylhomatropinum;Omatropina [DCIT];Prestwick1_000062;DTXSID6044014;1aH,3aH-Tropan-3a-ol mandelate (ester) hydrobromide;MEGxp0_001876;alpha-Hydroxybenzeneacetic acid (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3alpha-yl ester;SCHEMBL15275620;CHEBI:91858;EINECS 201-716-8;Homatropine [INN:BAN];alpha-Hydroxybenzeneacetic acid (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester;HOMATROPINE HYDROBROMIDE IMPURITY A [EP IMPURITY];Benzeneacetic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester;EN300-18536062;homatropin-;CS-0009509;[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;BENZENEACETIC ACID, .ALPHA.-HYDROXY-, 8-METHYL-8-AZABICYCLO(.2.1)OCT-3-YL ESTER;BSPBio_000243;(1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate;C07814;(3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate;SPBio_002164;NCGC00179630-03;AC-1301;Prestwick2_000062;16175-57-8;BRD-A74975734-004-02-4;Prestwick0_000062;HOMATROPINE [MART.];(+/-)-Mandelyltropine;FS-6780;5-21-01-00234 (Beilstein Handbook Reference);1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, mandelate (ester);Q1038115;HOMATROPINE [WHO-DD];AB00694561_08;CHEBI:5747;(+/-)-Homatropine;HOMATROPINE [MI];BRD-A74975734-004-10-7;87-00-3;ACon1_000253;CHEMBL1618018;DTXCID00809535;Prestwick3_000062;PD006610;HOMATROPINE SULFATE;8QS6WCL55Z;C16H21NO3;CAS-87-00-3;DL-Mandelsaeure-tropylester;Tox21_113104;HOMATROPINE METHYLBROMIDE IMPURITY B [EP IMPURITY];1-alpha H,5-alpha H-tropan-3-alpha-ol mandelate;NCGC00179630-02;DTXSID00858826;BPBio1_000269;BRN 0087959;Omatropina;3alpha-Tropylmandelat;DL-HOMATROPINE;UNII-8QS6WCL55Z;NCGC00179630-01;(+-)-Homatropine;Tropinmandelsaeureester;Mandelic acid, 3d-tropanyl ester;(RS)-3alpha(1alphaH,5alphaH)-Tropanylmandelat;HOMATROPINE [VANDF];HY-B0547;Tropine, mandelate (ester);SCHEMBL23969;s ethyl;tropine mandelate;DB11181;(1R,3R,5S)-8-methyl-8-azabicyclo3.2.1octan-3-yl 2-hydroxy-2-phenylacetate;1αH,5αH-Tropan-3α-ol, (±)-mandelate (ester) (8CI);Benzeneacetic acid, α-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(±)- (ZCI);(±)-Homatropine;(±)-Mandelic acid 1αH,5αH-tropan-3α-yl ester;(±)-Mandelyltropine;Benzeneacetic acid, α-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-;Tropine (±)-mandelate (ester);

标识符

InChIKey:
ZTVIKZXZYLEVOL-MCOXGKPRSA-N
Inchi:
1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15?
SMILES:
O([C@@H]1C[C@@H]2CC[C@@H](N2C)C1)C(=O)C(C1C=CC=CC=1)O

后马托品(87-00-3)物化性质

实验特性

  • LogP : 1.82630
  • PSA : 49.77000
  • 折射率 : 1.5500 (estimate)
  • 沸点 : 418.29°C (rough estimate)
  • 熔点 : 100°C (dec.)
  • 闪点 : 197.7 ºC
  • 密度 : 1.0677 (rough estimate)

计算特性

  • 精确分子量 : 275.15200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 4
  • 同位素质量 : 275.152144
  • 重原子数量 : 20
  • 复杂度 : 340
  • 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 : 3
  • 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) : 1.9
  • 拓扑分子极性表面积 : 49.8

后马托品(87-00-3)国际标准相关数据

EINECS:
201-716-8

后马托品(87-00-3)海关数据

海关编码:
2933990090
海关数据:

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%