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奥司他韦酸 | 187227-45-8

奥司他韦酸
Oseltamivir acid
187227-45-8
C14H24N2O4
284.3514
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:奥司他韦酸结构式
449381
奥司他韦酸价格
简介
Oseltamivir acid (GS 4071),Oseltamivir phosphate 的活性代谢产物, 是流感病毒神经氨酸酶 (IC50=2 nM) 的口服生物有效的,选择性的抑制剂,对流感病毒 A 和 B 都有活性。
名称和标识符
InChIKey NENPYTRHICXVCS-YNEHKIRRSA-N
Inchi 1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
SMILES O(C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@]1([H])C([H])=C(C(=O)O[H])C([H])([H])[C@@]([H])([C@@]1([H])N([H])C(C([H])([H])[H])=O)N([H])[H]
别名信息
- 中文别名 -
  • 奥斯他伟酸
  • 奥司他韦酒石酸盐
  • 奥司他韦酸标准品
  • 奥司他韦羧酸
  • 奥司他韦杂质C
  • 磷酸奥司他韦杂质B
  • 奥司他韦酸
  • 奥塞米韦酸
  • 奥斯他伟酸(奥司他韦羧酸)
- 英文别名 -
  • 1-Cyclohexene-1-carboxylicacid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, (3R,4R,5S)-
  • OSELTAMIVIR ACID
  • (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylic acid
  • Oseltamivir Carboxylic Acid
  • (3R,4R,5S)-4-Acetamido-5-amino-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylic acid
  • 1-Cyclohexene-1-carboxylic acid,4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-,(3R,4R,5S)
  • G39
  • GS 4071
  • oseltamivir carboxylate
  • Ro 64-0802
  • (3R,4R,5S)-4-(Acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid
  • Gs-4071
  • Aids095377
  • Aids-095377
  • Oseltamivir impurity C
  • Oseltamivir EP Impurity C
  • Oseltamivir-carboxylate
  • GS4071
  • K6106LV5Q8
  • (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
  • 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, (3R,4R,5S)-
  • (3r,4r,5s)-4-(Acetylamino)-5-Amino-3-(Pentan-3-Yloxy)cyclohex-1-Ene-1-Carboxylic Acid
  • Oseltamivir (acid)
  • Oseltamivir free acid
  • Oseltamivir Carboxylic Aci
  • Oseltamivir acid
  • (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
  • (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
  • GS 4071
  • Ro 64-0802
  • Oseltamivir carboxylate
  • GS 4071
  • Ro 64-0802
  • Oseltamivir carboxylate
  • 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, (3R-(3alpha,4beta,5alpha))-
  • 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, (3R-(3alpha,4beta,5alpha))-
  • (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid
  • (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid
  • Oseltamiviracid
  • Oseltamiviracid
  • AKOS027325283
  • AKOS027325283
  • DB02600
  • HY-13318
  • DB02600
  • (3R,4R,5S)-4-(ACETYLAMINO)-5-AMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
  • HY-13318
  • SCHEMBL182903
  • (3R,4R,5S)-4-(ACETYLAMINO)-5-AMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
  • (3r,4r,5s)-4-acetylamino-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid
  • SCHEMBL182903
  • CHEBI:73139
  • (3r,4r,5s)-4-acetylamino-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid
  • BDBM4994
  • CHEBI:73139
  • Oseltamivir acid, (-)-
  • BDBM4994
  • C90284
  • Oseltamivir acid, (-)-
  • Q27140336
  • C90284
  • GS-4071
  • EN300-150145
  • Q27140336
  • 187227-45-8
  • GS-4071
  • UNII-K6106LV5Q8
  • EN300-150145
  • Oseltamivir carboxylate
  • (3r,4r,5s)-4-acetylamino-5-amino-3(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid
  • 187227-45-8
  • CHEMBL674
  • UNII-K6106LV5Q8
  • DTXCID6094487
  • Oseltamivir carboxylate
  • (3R,4R,5S)-4-ACETAMIDO-5-AMINO-3-(1-ETHYLPROPOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID
  • (3r,4r,5s)-4-acetylamino-5-amino-3(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid
  • 204255-09-4 (HCl)
  • CHEMBL674
  • NS00000302
  • DTXCID6094487
  • A907638
  • (3R,4R,5S)-4-ACETAMIDO-5-AMINO-3-(1-ETHYLPROPOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID
  • OSELTAMIVIR PHOSPHATE IMPURITY C [EP IMPURITY]
  • 204255-09-4 (HCl)
  • (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid
  • NS00000302
  • Ro-64-0802
  • A907638
  • CS-0553
  • OSELTAMIVIR PHOSPHATE IMPURITY C [EP IMPURITY]
  • RO-640802
  • (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid
  • DTXSID50171996
  • Ro-64-0802
  • (3R,4R,5S)-4-(Acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexence-1-carboxylic Acid
  • CS-0553
  • OSELTAMIVIR PHOSPHATE IMPURITY, OSELTAMIVIR ACID- [USP IMPURITY]
  • RO-640802
  • (3R,4R,5S)-4-Acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohex-ene-1-carboxylic acid
  • DTXSID50171996
  • Gs4071
  • (3R,4R,5S)-4-(Acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexence-1-carboxylic Acid
  • Gs 4071
  • OSELTAMIVIR PHOSPHATE IMPURITY, OSELTAMIVIR ACID- [USP IMPURITY]
  • Oseltamivir acid, >=98%
  • (3R,4R,5S)-4-Acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohex-ene-1-carboxylic acid
  • OseltaMivir carboxylic acid
  • Gs4071
  • Gs 4071
  • Oseltamivir acid, >=98%
  • OseltaMivir carboxylic acid
物化性质
实验特性
LogP 1.89810
PSA 101.65000
折射率 1.524
沸点 508.7°C at 760 mmHg
熔点 185-187 ºC
闪点 261.5°C
溶解度 微溶 (7.4 g/L) (25 ºC),
密度 1.15±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 284.17400
氢键供体数量 3
氢键受体数量 5
可旋转化学键数量 6
同位素质量 284.174
重原子数量 20
复杂度 391
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 1
疏水参数计算参考值(XlogP) -1.9
拓扑分子极性表面积 102
相关文献
专业数据库参考
PubChemId 449381
参考资料
Reaxys RN
化合物详情(旧版)

SMILES

CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1

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