Carbostyril, 3,4-dihydro-1-(2-(diethylamino)ethyl)-, picrate

HCID 58326

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Basic information

CAS: 101418-17-1
Standard SMILES: CC[NH+](CC)CCN1C(=O)CCc2ccccc21.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1
InChIKey: MVBBJMDUOXYILA-UHFFFAOYSA-N
Molecular formula: C21H25N5O8
Average molar mass: 475.5 g/mol
Monoisotopic mass: 475.17031277

Names & identifiers

Preferred name: Carbostyril, 3,4-dihydro-1-(2-(diethylamino)ethyl)-, picrate
IUPAC: diethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium;2,4,6-trinitrophenolate

Names & synonyms

101418-17-1CARBOSTYRIL, 3,4-DIHYDRO-1-(2-(DIETHYLAMINO)ETHYL)-, PICRATE3,4-Dihydro-1-(2-(diethylamino)ethyl)carbostyril picrateDTXSID30143919RefChem:333551DTXCID4066410N,N-Diethyl-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)ethan-1-aminium 2,4,6-trinitrophenolate

Database identifiers

CAS: 101418-17-1
PubChem CID: 58326
DTXSID: DTXSID30143919

Properties

Computed structural properties

Topological polar surface area: 185 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 34
Formal charge: 0
Complexity: 567

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