| Catalog Number | ACM1138245132 |
| CAS | 1138245-13-2 |
| IUPAC Name | 2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid |
| Synonyms | Mirogabalin;1138245-13-2;Mirogabalin free base;UNII-S7LK2KDM5U;DS-5565;2-((1R,5S,6S)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl)acetic acid;S7LK2KDM5U;1138245-13-2 (free base);((1R,5S,6S)-6-(Aminomethyl)-3-ethylbicyclo(3.2.0)hept-3-en-6-yl)acetic acid;2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;Mirogabalin [INN];Mirogabalin [USAN:INN];[(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;mirogabalin-besylate;DS5565;DS 5565;Mirogabalin (USAN/INN);Mirogabalin (DS-5565);A 200-0700;GTPL8303;SCHEMBL1816421;CHEMBL3545125;AMY11272;BCP29010;EX-A1736;s6632;AKOS032945006;ZINC113907790;ACN-037509;CS-6008;DB11825;SB17457;AC-29882;AS-73453;HY-12650;J3.545.546I;D11203;A200-0700;A-200-0700;Aminomethyl)-3-ethyl-bicyclo(3.2.0)hept-3-ene-6-acetic acid;[(1R,5S,6S)-6-(Aminomethyl)-3-ethylbicyclo[3.2.0]hepta-3-ene-6-yl]acetic acid;[(1r,5s,6s)-6-aminomethyl-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]acetic acid |
| Molecular Weight | 209.28g/mol |
| Molecular Formula | C12H19NO2 |
| Canonical SMILES | CCC1=CC2C(C1)CC2(CC(=O)O)CN |
| 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 |
| InChI Key | FTBQORVNHOIASH-CKYFFXLPSA-N |
| Complexity | 311 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 209.141578849g/mol |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Monoisotopic Mass | 209.141578849g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3Ų |
| UNII | S7LK2KDM5U |
| X Log P3 | -1.7 |