503614-91-3 (阿哌沙班中间体C,Apixaban V)

CAS号:
503614-91-3
中文名称:
阿哌沙班中间体C
英文名称:
Apixaban V
分子式:
C27H28N4O5
分子量:
488.535026550293
API:

阿哌沙班中间体C(503614-91-3)名称与标识符

名称

中文别名:
1-(4-甲氧基苯基)-7-氧代-6-[4-(2-氧代哌啶-1-基)苯基]-4,5,6,7-四氢-1H-吡唑并[3,4-c]吡啶-3-羧酸乙酯;4,5,6,7-四氢-1-(4-甲氧基苯基)-7-氧代-6-[4-(2-氧代-1-哌啶基)苯基]-1H-吡唑并[3,4-C]吡啶-3-羧酸乙酯;阿哌沙班中间体C;1H-吡唑并[3,4-C]吡啶-3-甲酸, 4,5,6,7-四氢-1-(4-甲氧基苯基)-7-氧代-6-[4-(2-氧代-1-哌啶基)苯基]-, 乙酯;阿哌沙班杂质 9;阿哌沙班中间体;阿哌沙班中间体 1-(4-甲氧基苯基)-7-氧代-6-[4-(2-氧代哌啶-1-基)苯基]-4,5,6,7-四氢-1H-吡唑并[3,4-c]吡啶-3-羧酸乙酯;1-(4-甲氧基苯基)-7-氧代-6-[4-(2-氧代哌啶-1-基)苯基]-4,5,6,7-四氢-1;阿哌沙班杂质C;阿哌沙班杂质9(BMS-589149-01);
英文别名:
1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester;BMS-589149-01;1H-Pyrazolo[3,4-c]pyridine-3-carboxylicacid,4,5,6,7-tetrahydro-1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-,ethylester;4,5,6,7-Tetrahydro-1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-1h-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester;Apixaba inretMediate C;ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate;Apixaban Impurity 7;-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate;-7-oxo-6-(4-(2-oxopiperidin-1-yl);Ethyl 1-(4-methoxyphenyl);Apixaban V;Ethyl 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carbo...;ethyl 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate;1-(4-methoxy-phenyl)-7-oxo-6-[4-(2-oxo-piperidin-1-yl)-phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester;AB1008473;AK-93370;ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate;Ethyl1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate;Ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyra;CID 22240488;Ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c;Ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4;Apixaban Impurity 9 (BMS-589149-01);Ethyl 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-C)pyridine-3-carboxylate;NS00001244;Apixaban Ethyl Ester;CS-M3061;1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-, ethyl ester;Apixaban Impurity 9;MFCD18072444;Ethyl 1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate;AC-26844;AKOS015951081;Apixaban Ester Impurity;SCHEMBL541837;EC 700-890-7;DTXSID50623728;BCP12347;Ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate;DB-367120;DS-17827;F19300;Apixaban ethyl ester [USP IMPURITY];Ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate.;PULNLYVCJSOXKS-UHFFFAOYSA-N;SY030374;503614-91-3;C27H28N4O5;Q9LMP4ZJ6N;

标识符

MDL:
MFCD18072444
InChIKey:
PULNLYVCJSOXKS-UHFFFAOYSA-N
Inchi:
1S/C27H28N4O5/c1-3-36-27(34)24-22-15-17-30(19-9-7-18(8-10-19)29-16-5-4-6-23(29)32)26(33)25(22)31(28-24)20-11-13-21(35-2)14-12-20/h7-14H,3-6,15-17H2,1-2H3
SMILES:
CCOC(C1=NN(C2C=CC(OC)=CC=2)C2C(N(C3C=CC(N4CCCCC4=O)=CC=3)CCC1=2)=O)=O

阿哌沙班中间体C(503614-91-3)物化性质

实验特性

  • LogP : 3.90740
  • PSA : 93.97
  • 沸点 : 758.7±60.0°C at 760 mmHg
  • 熔点 : NA
  • 密度 : 1.34

计算特性

  • 精确分子量 : 488.20614
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 7
  • 同位素质量 : 488.20597g/mol
  • 重原子数量 : 36
  • 复杂度 : 808
  • 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 : 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) : 3.6
  • 拓扑分子极性表面积 : 94
  • 分子量 : 488.5g/mol

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阿哌沙班中间体C(503614-91-3)参考资料

Reaxys RN:
PubChem CID: