1.0 2010-04-08 22:05:15 UTC 2020-02-24 19:10:25 UTC FDB002126 Cuscohygrine Alkaloid from the root of Cyphomandra betacea (tree tomato) Cuscohygrine is a pyrrolidine alkaloid found in coca. It can be extracted from plants of the family Solanaceae as well, including Atropa belladonna (deadly nightshade), Datura inoxia and Datura stramonium (jimson weed). Cuscohygrine usually comes with other, more potent alkaloids like atropine or cocaine.; Cuscohygrine is an oil, which can be distilled without decomposition only in vacuum. It is easily soluble in water and forms an optically inactive crystalline hydrate C13H24N2O·3H2O, which melts at 40-41 °C. 1,3-Bis(1-methyl-2-pyrrolidinyl)-2-propanone, 9CI Bellaradine Cuskhygrine Hellaradine C13H24N2O 224.3425 224.1888634 1,3-bis(1-methylpyrrolidin-2-yl)propan-2-one cuscohygrine 454-14-8 CN1CCCC1CC(=O)CC1CCCN1C InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3 ZEBIACKKLGVLFZ-UHFFFAOYSA-N belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Alkaloids and derivatives Organic compounds Alkaloids and derivatives Aliphatic heteromonocyclic compounds Azacyclic compounds Beta-amino ketones Hydrocarbon derivatives N-alkylpyrrolidines Organic oxides Organopnictogen compounds Trialkylamines Aliphatic heteromonocyclic compound Alkaloid or derivatives Amine Azacycle Beta-aminoketone Carbonyl group Hydrocarbon derivative Ketone N-alkylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrolidine Tertiary aliphatic amine Tertiary amine Pyrrolidine alkaloids logp 1.53 ALOGPS logs -1.07 ALOGPS solubility 1.92e+01 g/l ALOGPS melting_point Mp 40-41° (hydrate) logp 1.29 ChemAxon pka_strongest_acidic 17.67 ChemAxon pka_strongest_basic 9.13 ChemAxon iupac 1,3-bis(1-methylpyrrolidin-2-yl)propan-2-one ChemAxon average_mass 224.3425 ChemAxon mono_mass 224.1888634 ChemAxon smiles CN1CCCC1CC(=O)CC1CCCN1C ChemAxon formula C13H24N2O ChemAxon inchi InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3 ChemAxon inchikey ZEBIACKKLGVLFZ-UHFFFAOYSA-N ChemAxon polar_surface_area 23.55 ChemAxon refractivity 66.87 ChemAxon polarizability 26.2 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26517 Specdb::CMs 172040 Specdb::NmrOneD 17082 Specdb::NmrOneD 17083 Specdb::NmrOneD 17084 Specdb::NmrOneD 17085 Specdb::NmrOneD 17086 Specdb::NmrOneD 17087 Specdb::NmrOneD 17088 Specdb::NmrOneD 17089 Specdb::NmrOneD 17090 Specdb::NmrOneD 17091 Specdb::NmrOneD 17092 Specdb::NmrOneD 17093 Specdb::NmrOneD 17094 Specdb::NmrOneD 17095 Specdb::NmrOneD 17096 Specdb::NmrOneD 17097 Specdb::NmrOneD 17098 Specdb::NmrOneD 17099 Specdb::NmrOneD 17100 Specdb::NmrOneD 17101 Specdb::MsMs 56067 Specdb::MsMs 56068 Specdb::MsMs 56069 Specdb::MsMs 111387 Specdb::MsMs 111388 Specdb::MsMs 111389 Specdb::MsMs 2279563 Specdb::MsMs 2279564 Specdb::MsMs 2279565 Specdb::MsMs 3088885 Specdb::MsMs 3088886 Specdb::MsMs 3088887 HMDB30290 27920 #<Reference:0x000055ce330e1eb8> Fruits Unknown generic Potato Type 1 specific Solanum tuberosum 4113