1.0 2016-05-25 22:27:45 UTC 2026-04-06 02:20:47 UTC Supinine SmallMolecule Supinine is an organic compound with the chemical formula C15H25NO4 and an average molecular weight of 283.36 g/mol. Supinine belongs to the alkaloids and derivatives, a superclass within the organic compounds. This compound is found in or released from 14 recorded sources spanning several sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and two additional sources. In the textiles, leather and furnishings sector, it is linked to synthetic textiles as well as carpets and rugs. Other recorded sources include food packaging from the food, food processing and cookware sector, and medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is found in lubricants within both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one more sector. Recorded exposure routes for the compound include inhalation, oral, and touch. PFAS Phytotoxin C15H25NO4 283.3633 283.178358293 (7aS)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-ylmethyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate supinine 551-58-6 CC(C)[C@](O)([C@@H](C)O)C(=O)OCC1=CCN2CCC[C@@H]12 InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13+,15+/m1/s1 DRVWTOSBCBKXOR-ZLDLUXBVSA-N Organic compounds Alkaloids and derivatives Alkaloids and derivatives 1,2-diols Amino acids and derivatives Azacyclic compounds Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives N-alkylpyrrolidines Organic oxides Organopnictogen compounds Pyrrolines Pyrrolizines Secondary alcohols Tertiary alcohols Trialkylamines 1,2-diol Alcohol Aliphatic heteropolycyclic compound Alkaloid or derivatives Amine Amino acid or derivatives Azacycle Beta-hydroxy acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives N-alkylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrolidine Pyrroline Pyrrolizine Secondary alcohol Tertiary alcohol Tertiary aliphatic amine Tertiary amine Aliphatic heteropolycyclic compounds Pyrrolizidine alkaloids pyrrolizines Detected and Not Quantified logp 1.36 ALOGPS logs -0.99 ALOGPS solubility 2.89e+01 g/l ALOGPS logp 0.86 ChemAxon pka_strongest_acidic 11.34 ChemAxon pka_strongest_basic 8.36 ChemAxon iupac (7aS)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-ylmethyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate ChemAxon average_mass 283.3633 ChemAxon mono_mass 283.178358293 ChemAxon smiles CC(C)[C@](O)([C@@H](C)O)C(=O)OCC1=CCN2CCC[C@@H]12 ChemAxon formula C15H25NO4 ChemAxon inchi InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13+,15+/m1/s1 ChemAxon inchikey DRVWTOSBCBKXOR-ZLDLUXBVSA-N ChemAxon polar_surface_area 70 ChemAxon refractivity 76.62 ChemAxon polarizability 30.99 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726c8c7950> 108053 97156