Chemical Properties of Nitrendipine M (dehydro-desethyl, methyl ester)

Nitrendipine M (dehydro-desethyl, methyl ester)

InChI
InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8H,1-4H3
InChI Key
WLSSRGYMMSQMGL-UHFFFAOYSA-N
Formula
C17H16N2O6
SMILES
COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc([N+](=O)[O-])c1
Molecular Weight1
344.32
Other Names
  • Nimodipine M (dehydro-desisopropyl-desmethoxyethyl, methyl ester)
  • Nicardipine M (dehydro-desbenzylmethylaminoethyl, methyl ester)
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Physical Properties

Property Value Unit Source
Δfgas -488.94 kJ/mol Relay (1.0) Calculated Property
Δvap 108.49 kJ/mol Relay (1.0) Calculated Property
IE 8.57 eV Relay (1.0) Calculated Property
log10WS -3.72 Relay (1.0) Calculated Property
logPoct/wat 2.847 Crippen Calculated Property
McVol 245.150 ml/mol McGowan Calculated Property
Inp [2300.00; 2300.00]   Show Hide
Inp 2300.00 NIST
Inp 2300.00 NIST
Tboil 655.83 K Relay (1.0) Calculated Property
Tfus 417.93 K Relay (1.0) Calculated Property

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Similar Compounds

Nitrendipine M (dehydro). Nilvadipine M (dehydro-desisopropyl, methyl ester). Nimodipine M (dehydro-desmethoxyethyl, methyl ester). Nicardipine M (dehydro-desamino-hydroxy). Nifedipine M (dehydro). Nimodipine M (dehydro-desisopropyl-O-desmethyl, methyl ester). Nilvadipine M (dehydro). Nimodipine M (dehydro-desisopropyl-O-desmethyl-carboxy, dimethyl ester). Nifedipine M (dehydro-bis-carboxy, methyl ester). Nimodipine M (dehydro-O-desmethyl-carboxy, methyl ester). Felodipine M (dehydro-desethyl, methyl ester). (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Epibaptifoline. Argentamin. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-.

Find more compounds similar to Nitrendipine M (dehydro-desethyl, methyl ester).

Sources

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