ChemicalBook--->CAS DataBase List--->931395-73-2

931395-73-2

931395-73-2 Structure

931395-73-2 Structure
IdentificationBack Directory
[Name]

5-Chloro-6-[4-(ethoxycarbonyl)piperidino]-nicotinic acid
[CAS]

931395-73-2
[Synonyms]

Avatrombopag Impurity 5
Avatrombopag Impurity 16
5-chloro-6-[4-(ethoxycarbonyl)piperidin-1-yl]pyridine-3-carboxylic acid
6-(4-(ethoxycarbonyl)piperidin-1-yl)-5-chloropyridine-3-carboxylic acid
3-Pyridinecarboxylic acid, 5-chloro-6-[4-(ethoxycarbonyl)-1-piperidinyl]-
1-(3-chloro-5-((4-(5-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl)carbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
[Molecular Formula]

C14H17ClN2O4
[MDL Number]

MFCD11840997
[MOL File]

931395-73-2.mol
[Molecular Weight]

312.75
Chemical PropertiesBack Directory
[Melting point ]

128~130℃
[Boiling point ]

478.6±45.0 °C(Predicted)
[density ]

1.339±0.06 g/cm3(Predicted)
[pka]

2.78±0.10(Predicted)
[InChI]

InChI=1S/C14H17ClN2O4/c1-2-21-14(20)9-3-5-17(6-4-9)12-11(15)7-10(8-16-12)13(18)19/h7-9H,2-6H2,1H3,(H,18,19)
[InChIKey]

JEMRGZNDPCCZNF-UHFFFAOYSA-N
[SMILES]

C1=NC(N2CCC(C(OCC)=O)CC2)=C(Cl)C=C1C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
[HS Code ]

2933399990
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