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缬沙坦甲酯 | 137863-17-3

缬沙坦甲酯
Valsartan Methyl Ester
137863-17-3
C25H31N5O3
449.5453
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:缬沙坦甲酯结构式
11561462
缬沙坦甲酯价格
名称和标识符
MDL MFCD31562813
InChIKey UJTNRXYTECQKFO-QHCPKHFHSA-N
Inchi 1S/C25H31N5O3/c1-5-6-11-22(31)30(23(17(2)3)25(32)33-4)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24-26-28-29-27-24/h7-10,12-15,17,23H,5-6,11,16H2,1-4H3,(H,26,27,28,29)/t23-/m0/s1
SMILES O(C([H])([H])[H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N(C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O)C([H])([H])C1C([H])=C([H])C(C2=C([H])C([H])=C([H])C([H])=C2C2N=NN([H])N=2)=C([H])C=1[H])=O
别名信息
- 中文别名 -
  • 缬沙坦甲酯
  • 夫西地酸
  • 甲基异噻唑啉酮
  • 缬沙坦甲酯 标准品
  • 缬沙坦相关化合物E USP标准品
  • 缬沙坦杂质E
  • N-(1-戊酰基)-N-[4-[2-(1H-四氮唑-5-基)苯基]苄基]-L-缬氨酸甲酯
- 英文别名 -
  • (S)-Methyl 2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate
  • N-[2’-(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine methyl ester
  • L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-,methyl ester
  • Valsartan Methyl Est
  • Valsartan Methyl Ester
  • (2S)-methyl 3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
  • (S)-N-(1-Methoxycarbonyl-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine
  • AK102662
  • AKOS01
  • ANW-65515
  • CHEBI:287690
  • N-pentanoyl-N-[[2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]-methyl]-(L)-valine methyl ester
  • VME
  • N-Valeryl-N-{[2′-(1H-tetrazole-5-yl)biphenyl-4-yl]methyl}-L-valine methyl ester
  • N-(1-Oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-L-valine methyl ester
  • [ "" ]
  • 7BZQ418Z0J
  • Valsartan impurity E
  • L-Valine, N-(1-oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, methyl ester
  • Valsartan impurity E [USP-MC]
  • L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, methyl ester
  • Valsartan Related Compound E
  • UJTNRXYTECQKFO-QHCP
  • UNII-7BZQ418Z0J
  • N-[2 inverted exclamation mark -(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine methyl ester
  • Methyl N-pentanoyl-N-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valinate
  • N-[2 inverted exclamation mark -(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine methyl ester
  • Valsartan Methyl Ester
  • Valsartan Related Compound E (USP)
  • N-Valeryl-N-{[2'-(1H-tetrazole-5-yl)biphenyl-4-yl]methyl}-L-valine methyl ester
  • Valsartan Related Compound E
  • (S)-Methyl2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate
  • L-Valine,N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-,methylester
  • D92869
  • valsartan methyl ester
  • SCHEMBL2251
  • N-[2-(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine methyl ester
  • N-(1-Oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-L-valine methyl ester
  • BDBM50282365
  • Q27268035
  • PD128572
  • AKOS015899737
  • Methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
  • N-valeryl-N-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]-(L)-valine methyl ester
  • (S)-3-Methyl-2-{pentanoyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid methyl ester
  • CHEMBL326349
  • DTXSID50468616
  • 137863-17-3
  • AS-74538
  • methyl (2S)-3-methyl-2-[N-({4-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoate
  • AKOS037647709
  • METHYL (2S)-3-METHYL-2-(N-{[2'-(2H-1,2,3,4-TETRAZOL-5-YL)-[1,1'-BIPHENYL]-4-YL]METHYL}PENTANAMIDO)BUTANOATE
  • A886382
  • UJTNRXYTECQKFO-QHCPKHFHSA-N
  • SCHEMBL21619424
  • methyl N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl}-L-valinate
  • Valsartan methyl ester
  • N-valeryl-N-{[2′-(1H-tetrazole-5-yl)biphenyl-4-yl]methyl}-L-valine methyl ester
物化性质
实验特性
LogP 4.25010
PSA 101.07
折射率 1.566
沸点 647.716 °C at 760 mmHg
熔点 129-130 ºC
闪点 345.526 °C
溶解度 Insuluble (1.7E-3 g/L) (25 ºC),
颜色与性状 Powder
密度 1.169±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 449.24293
氢键供体数量 1
氢键受体数量 6
可旋转化学键数量 11
同位素质量 449.24268987g/mol
重原子数量 33
复杂度 623
同位素原子数量 0
确定原子立构中心数量 1
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) 4.7
拓扑分子极性表面积 101
安全信息
危险品运输编号 NONH for all modes of transport
专业数据库参考
PubChemId 11561462
化合物详情(旧版)

SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2C(=CC=CC=2)C3N=NNN=3)[C@@H](C(C)C)C(=O)OC

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