13118-11-1 (甘罗溴铵杂质B,N-Methyl-3-pyrrolidinyl Cyclopentylmandelate (mixture of diastereomers))

CAS号:
13118-11-1
中文名称:
甘罗溴铵杂质B
英文名称:
N-Methyl-3-pyrrolidinyl Cyclopentylmandelate (mixture of diastereomers)
分子式:
C18H25NO3
分子量:
303.396005392075

甘罗溴铵杂质B(13118-11-1)名称与标识符

名称

中文别名:
甘罗溴铵杂质B;格隆溴铵杂质B;N-甲基-3-吡咯烷基 环戊基扁桃酸酯;4-酮13-顺式维甲酸;N-甲基-3-吡咯烷环戊基扁桃酸;甘罗溴铵相关物质B USP标准品;格隆溴铵杂质G(EP) 标准品;格隆溴铵中间体;格隆溴铵中间体D;格隆溴铵中间体B;甘罗溴铵相关物质B;2-环戊基羟基苯基乙酸(1'-甲基-3'羟基)吡咯烷酯;2-环戊基-2-羟基-2-苯基乙酸(1-甲基-3-羟基)吡咯烷酯;
英文别名:
Benzeneacetic acid, a-cyclopentyl-a-hydroxy-,1-methyl-3-pyrrolidinyl ester;N-Methyl-3-pyrrolidinyl Cyclopentylmandelate;1-methylpyrrolidin-3-yl cyclopentylphenylglycolate;(1-methylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;N-Methyl-3-pyrrolidi;3-[(cyclopentyl-hydroxyphenylacetyl)oxy]-1-methylpyrrolidine;cyclopentyl-hydroxy-phenyl-acetic acid 1-methyl-pyrrolidin-3-yl ester;Cyclopentyl-phenylglykolsaeure-1-methyl-3-pyrrolidinylester;EINECS 236-047-0;1-Methylpyrrolidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;Glycopyrrolate Related CoMpound B;GlycopyrroniuM BroMide interMediate B;α-Cyclopentyl-mandelic Acid 1-Methyl-3-pyrrolidinyl Ester;a-Cyclopentyl-mandelic Acid 1-Methyl-3-pyrrolidinyl Ester;1-Methylpyrrolidin-3-yl -2-cyclopentylhydroxyphenylacetate;α-Cyclopentyl-α-hydroxybenzeneacetic acid 1-methylpyrrolidin-3-yl ester;N-Methyl-3-pyrrolidinyl CyclopentylMandelate (Mixture of diastereoMers);3[(cyclopentylhydroxyphenyl-acetyl)oxy]-1-methylpyrrolidine;cyclopentyl-hydroxy-phenyl-acetic acid 1-methyl-pyrrolidin-3yl-ester;NSC172251;NCI60_001390;MANDELIC ACID, .ALPHA.-CYCLOPENTYL-, 1-METHYL-3-PYRROLIDINYL ESTER;UNII-79E4GF757C;FT-0672130;NS00052037;GLYCOPYRROLATE BASE;13118-11-1;GLYCOPYRRONIUM BROMIDE IMPURITY G [EP IMPURITY];1-methylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate;Q27266750;CHEMBL2007691;AKOS023249344;DTXSID90927111;SCHEMBL418425;AT16211;1-METHYLPYRROLIDIN-3-YL-2-CYCLOPENTYL-2-HYDROXY-2-PHENYLACETATE;1-methyl-3-pyrrolidinyl cyclopentyl(hydroxy)phenylacetate;1-Methylpyrrolidin-3-yl2-cyclopentyl-2-hydroxy-2-phenylacetate;alpha-Cyclopentyl-alpha-hydroxy-benzeneacetic Acid 1-Methyl-3-pyrrolidinyl Ester;alpha-Cyclopentyl-mandelic Acid 1-Methyl-3-pyrrolidinyl Ester;79E4GF757C;AS-80185;Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, 1-methyl-3-pyrrolidinyl ester;C18H25NO3;A905204;

标识符

MDL:
MFCD12911798
InChIKey:
OVGMKPGXRHJNKJ-UHFFFAOYSA-N
Inchi:
1S/C18H25NO3/c1-19-12-11-16(13-19)22-17(20)18(21,15-9-5-6-10-15)14-7-3-2-4-8-14/h2-4,7-8,15-16,21H,5-6,9-13H2,1H3
SMILES:
O(C(C(C1C=CC=CC=1)(C1CCCC1)O)=O)C1CN(C)CC1

甘罗溴铵杂质B(13118-11-1)物化性质

实验特性

  • LogP : 2.24960
  • PSA : 49.77000
  • 折射率 : 1.5256 (589.3 nm 23 ºC)
  • 沸点 : 434.6°Cat760mmHg
  • 闪点 : 216.7°C
  • 溶解度 : 微溶 (1.6 g/L) (25 ºC),
  • 密度 : 1.17±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 303.18300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 5
  • 同位素质量 : 303.183444
  • 重原子数量 : 22
  • 复杂度 : 388
  • 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 : 2
  • 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
  • 拓扑分子极性表面积 : 49.8

甘罗溴铵杂质B(13118-11-1)安全信息

甘罗溴铵杂质B(13118-11-1)国际标准相关数据

EINECS:
236-047-0

甘罗溴铵杂质B(13118-11-1)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%