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缬沙坦苄酯 | 137863-20-8

缬沙坦苄酯结构式图片|137863-20-8结构式图片
缬沙坦苄酯
Valsartan Benzyl Ester
137863-20-8
C31H35N5O3
525.6413
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:缬沙坦苄酯结构式
11283894
缬沙坦苄酯价格
名称和标识符
MDL MFCD12407184
InChIKey VXKKFWDUSKMRNO-LJAQVGFWSA-N
Inchi InChI=1S/C31H35N5O3/c1-4-5-15-28(37)36(29(22(2)3)31(38)39-21-24-11-7-6-8-12-24)20-23-16-18-25(19-17-23)26-13-9-10-14-27(26)30-32-34-35-33-30/h6-14,16-19,22,29H,4-5,15,20-21H2,1-3H3,(H,32,33,34,35)/t29-/m0/s1
SMILES CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)OCC4=CC=CC=C4
别名信息
- 中文别名 -
  • 缬沙坦苄酯
  • 缬沙坦相关化合物 C
  • 缬沙坦相关物质C USP标准品
  • 缬沙坦杂质C
  • 缬沙坦相关物质C
  • 缬沙坦杂质CGP49841
- 英文别名 -
  • (S)-Benzyl 2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate
  • (S)-N-VALERYL-N-([2'-(1H-TETRAZOLE-5-YL)BIPHEN-4-YL]METHYL)-VALINE BENZYL ESTER
  • benzyl N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-N-pentanoyl-L-valinate
  • Valsartan Benzyl Est
  • Valsartan Benzyl Ester
  • (S)-N-Valeryl-N-([2'-(1-H-tetrazole-5-yl)biphenyl-4-yl]-Methyl)valine benzyl ester
  • benzyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
  • Valsartan Related CoMpound C
  • (S)-N-Valeryl-N-([2'-(1H-tetrazole-5-yl)biphen-4-yl]methyl)valine benzyl ester
  • [N-Valeryl-N[[2?-(1H-tetrazole-5-yl)biphenyl-4-yl]methyl]-L-valine Benzyl Ester
  • (S)-benzyl2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate
  • benzyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
  • L-Valine,N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-,phenylmethyl ester
  • L-Valine, N-(1-oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, phenylmethyl ester
  • AKOS015899738
  • VXKKFWDUSKMRNO-LJAQVGFWSA-N
  • [(S-N-VALERYL-N-([2'-(1H-TETRAZOLE-5-YL)BIPHEN-4-YL]METHYL)-VALINE BENZYL ESTER)
  • UNII-2P0MPU907C
  • A886381
  • Valsartan benzyl ester
  • Benzyl (2S)-3-Methyl-2-[pentanoyl[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]amino]butanoate
  • (S)-benzyl 2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate
  • Benzyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
  • C31H35N5O3
  • BENZYL (2S)-3-METHYL-2-(N-{[2'-(1H-1,2,3,4-TETRAZOL-5-YL)-[1,1'-BIPHENYL]-4-YL]METHYL}PENTANAMIDO)BUTANOATE
  • EC 604-047-3
  • 1894176-44-3
  • L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, phenylmethyl ester
  • SCHEMBL2691
  • Q27255284
  • (S)-N-(1-benzyloxycarbonyl-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amine
  • SC1410
  • Valsartan impurity B
  • N-(1-Oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-L-valine Phenylmethyl Ester
  • VALSARTAN IMPURITY B [EP IMPURITY]
  • (S)-N-(1-benzyloxycarbonyl-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)bi-phenyl-4-ylmethyl]-amine
  • Valsartan Imp. B (EP)
  • Valsartan USP Related Compound C
  • Valsartan USP RC C
  • Benzyl (2S)-3-Methyl-2-[pentanoyl-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]amino]butanoate, Valsartan Imp B (EP), Valsartan Related Compound C (USP)
  • Valsartan Related Compound C
  • Valsartan Impurity B
  • 137863-20-8
  • Valsartan impurity B [EP]
  • N-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]-N-valeryl-(L)-valine benzyl ester
  • Benzyl (2S)-3-methyl-2-(pentanoyl((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)amino)butanoate
  • Benzyl (2S)-3-methyl-2-(N-((4-(2-(1H-1,2,3,4-tetrazol-5-yl)phenyl)phenyl)methyl)pentanamido)butanoate
  • AS-78678
  • AKOS015854417
  • DTXSID70160342
  • 2P0MPU907C
  • (S)-N-(1-Benzyloxycarbonyl-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine
  • benzyl (2S)-3-methyl-2-[N-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoate
物化性质
实验特性
LogP 5.82050
PSA 101.07000
折射率 1.588
沸点 720.1±70.0 °C at 760 mmHg
熔点 >71°C (dec.)
蒸气压 0.0±2.3 mmHg at 25°C
闪点 389.3±35.7 °C
溶解度 Chloroform (Slightly), Methanol (Slightly)
密度 1.2±0.1 g/cm3
计算特性
精确分子量 525.27400
氢键供体数量 1
氢键受体数量 8
可旋转化学键数量 14
同位素质量 525.27399000g/mol
重原子数量 39
复杂度 751
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) 6.2
拓扑分子极性表面积 101Ų
专业数据库参考
PubChemId 11283894
参考资料
Reaxys RN
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)OCC4=CC=CC=C4

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