651324-08-2 ((3R,4R,5S)-4-N-乙酰基(叔丁基)氨基-5-N,N-二烯丙基氨基-3-(1-乙基丙氧基)-1-环己烯-1-甲酸乙酯单盐酸盐,(3R,4R,5S)-Ethyl 4-(N-(tert-butyl)acetamido)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate hydrochloride)

CAS号:
651324-08-2
中文名称:
(3R,4R,5S)-4-N-乙酰基(叔丁基)氨基-5-N,N-二烯丙基氨基-3-(1-乙基丙氧基)-1-环己烯-1-甲酸乙酯单盐酸盐
英文名称:
(3R,4R,5S)-Ethyl 4-(N-(tert-butyl)acetamido)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate hydrochloride
分子式:
C26H45ClN2O4
分子量:
485.09950709343

(3R,4R,5S)-4-N-乙酰基(叔丁基)氨基-5-N,N-二烯丙基氨基-3-(1-乙基丙氧基)-1-环己烯-1-甲酸乙酯单盐酸盐(651324-08-2)名称与标识符

名称

中文别名:
(3R,4R,5S)-4-N-乙酰基(叔丁基)氨基-5-N,N-二烯丙基氨基-3-(1-乙基丙氧基)-1-环己烯-1-甲酸乙酯单盐酸盐;(3R,4r,5s)-4-n-乙酰基(1,1-二甲基乙基)氨基-5-N,N-二烯丙基氨基-3-(1-乙基丙氧基)-1-环己烯-1-羧酸乙酯盐酸盐;磷酸奥司他韦中间体十一步;磷酸奥司他韦中间体十一步工厂;奥司他韦盐酸盐;(3R,4R,5S)-4-(N-(叔丁基)乙酰氨基)-5-(二烯丙基氨基)-3-(戊-3-基氧基)环己-1-烯羧酸乙酯盐酸盐;
英文别名:
(3R,4R,5S)-Ethyl 4-(N-(tert-butyl)acetamido)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate hydrochloride;(3R,4R,5S)-4-N-ACETYL(1,1-DIMETHYLETHYL)AMINO-5-N,N-DIALLYLAMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID ETH...;1-Cyclohexene-1-carboxylic acid,4-[acetyl(1,1-dimethylethyl)amino]-5-(di-2-propen-1-ylamino)-3-(1-ethylpropoxy)-, ethyl ester,hydrochloride (1:1);Ethyl (3R,4R,5S)-4-N-Acetyl(1,1-dimethylethyl)amino-5-N,N-diallylamino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate monohydrochloride;Ethyl (3R,4R,5S)-4-[acetyl(tert-butyl)amino]-5-[di(prop-2-en-1-yl)amino]-3-[(pentan-3-yl)oxy]cyclohex-1-ene-1-carboxylate--hydrogen chloride (1/1);DFO-10;DTXSID70670032;ethyl (3R,4R,5S)-4-[acetyl(tert-butyl)amino]-5-[bis(prop-2-enyl)amino]-3-pentan-3-yloxycyclohexene-1-carboxylate;hydrochloride;H11230;ETHYL (3R,4R,5S)-5-[BIS(PROP-2-EN-1-YL)AMINO]-4-(N-TERT-BUTYLACETAMIDO)-3-(PENTAN-3-YLOXY)CYCLOHEX-1-ENE-1-CARBOXYLATE HYDROCHLORIDE;BS-49599;(3R,4R,5S)-Ethyl4-(N-(tert-butyl)acetamido)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylatehydrochloride;651324-08-2;(3R,4R,5S)-4-N-Acetyl(1,1-dimethylethyl)amino-5-N,N-diallylamino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid ethyl ester monohydrochloride;AKOS015964401;CS-0092580;A848322;AC-25904;ethyl (3R,4R,5S)-4-(N-(tert-butyl)acetamido)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate hydrochloride;(3R,4R,5S)-Ethyl 4-(N-(tert-butyl)acetamido)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate HCl;Oseltamivir N-2;

标识符

MDL:
MFCD09032929
InChIKey:
PUBKCMTVXFIUCX-BAUONJEJSA-N
Inchi:
1S/C26H44N2O4.ClH/c1-10-15-27(16-11-2)22-17-20(25(30)31-14-5)18-23(32-21(12-3)13-4)24(22)28(19(6)29)26(7,8)9;/h10-11,18,21-24H,1-2,12-17H2,3-9H3;1H/t22-,23+,24+;/m0./s1
SMILES:
Cl.O(C(CC)CC)[C@@H]1C=C(C(=O)OCC)C[C@@H]([C@H]1N(C(C)=O)C(C)(C)C)N(CC=C)CC=C

(3R,4R,5S)-4-N-乙酰基(叔丁基)氨基-5-N,N-二烯丙基氨基-3-(1-乙基丙氧基)-1-环己烯-1-甲酸乙酯单盐酸盐(651324-08-2)物化性质

实验特性

  • LogP : 5.31360
  • PSA : 59.08000
  • 沸点 : No data available
  • 熔点 : No data available
  • 蒸气压 : No data available
  • 闪点 : No data available
  • 颜色与性状 : No data avaiable
  • 密度 : No data available

计算特性

  • 精确分子量 : 484.30700
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 15
  • 同位素质量 : 484.307
  • 重原子数量 : 33
  • 复杂度 : 666
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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 : 2
  • 拓扑分子极性表面积 : 59.1A^2

(3R,4R,5S)-4-N-乙酰基(叔丁基)氨基-5-N,N-二烯丙基氨基-3-(1-乙基丙氧基)-1-环己烯-1-甲酸乙酯单盐酸盐(651324-08-2)推荐厂家 更多厂家(69)