13-Hydroxyspartein-2-one--hydrogen chloride (1/1)
(1R,2S,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;hydrochloride
Also Known As: Hydroxylupanine hydrochloride|Hydroxylupanine HCl|13-Hydroxylupanine|13-Hydroxylupanine hydrochloride|Chlorowodorek 13-hydroksylupaniny|Lupanine, 13-hydroxy-, monohydrochloride|Chlorowodorek 13-hydroksylupaniny [Polish]|13-Hydroxyspartein-2-one--hydrogen chloride (1/1)|(1R,2S,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;hydrochloride|13alpha-Hydroxy-7alpha,9alpha,11alpha-spartein-2-one--hydrogen chloride (1/1)
| Molecular Formula | C15H25ClN2O2 |
|---|---|
| Molecular Weight | 300.16046 g/mol |
| LogP | 1.2643 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 300.16046 |
| Monoisotopic Mass | 300.16046 |
| Heavy Atoms | 20 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 6809-89-8 |
|---|---|
| SMILES | C1C[C@H]2[C@@H]3C[C@H](CN2C(=O)C1)[C@@H]4C[C@H](CCN4C3)O.Cl |
| InChIKey | AYMJJTYUDBRBRA-MPNXSPFOSA-N |
Product Overview
13-Hydroxyspartein-2-one--hydrogen chloride (1/1) (CAS 6809-89-8), with molecular formula C15H25ClN2O2 and molecular weight 300.16046 g/mol. IUPAC: (1R,2S,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;hydrochloride.