Mirogabalin | |
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Molecular structure via molpic based on CDK |
Conformer [] | |
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Physical properties [] | |
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Molecular mass | 209.28 g/mol [1] |
Predicted LogP | -1.7 [1] |
Structural Identifiers [] | |
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Molecular formula | C12H19NO2 [1] |
IUPAC name | 2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid [1] |
SMILES | CCC1=C[C@@H]2[C@H](C1)C[C@@]2(CC(=O)O)CN [1] |
InChI | InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1 [1] |
InChIKey | FTBQORVNHOIASH-CKYFFXLPSA-N [1] |
Mirogabalin
Mirogabalin (also known as 2-((1R,5S,6S)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl)acetic acid, DS 5565, Bicyclo(3.2.0)hept-3-ene-6-acetic acid, 6-(aminomethyl)-3-ethyl-, (1R,5S,6S)-, A-200-0700, A200-0700, ((1R,5S,6S)-6-(Aminomethyl)-3-ethylbicyclo(3.2.0)hept-3-en-6-yl)acetic acid, [(1R,5S,6S)-6-(Aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]acetic acid, 2-[(1R,5S,6S)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]acetic acid, Mirogabalina or Mirogabaline) is a
Chemistry
Salts []
Mirogabalin is typically found in the form of its besylate salt.
Stereochemistry []
Mirogabalin is a absolute mixture