1.0 2016-05-25 21:33:30 UTC 2026-04-06 01:37:21 UTC Isotetrandrine SmallMolecule Isotetrandrine is an organic compound with the chemical formula C38H42N2O6. Isotetrandrine belongs to the lignans, neolignans and related compounds, a superclass within the organic compounds. With an average molecular weight of 622.75 g/mol, Isotetrandrine is a heavy molecule. This substance has been identified in or released from 13 recorded sources across several diverse sectors. Within the realm of electrical and electronic equipment, it is found in cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also present in textiles, leather and furnishings, specifically in synthetic textiles as well as carpets and rugs. Further 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 utilized as lubricants within the energy, oil and gas sector, as well as the industrial manufacturing and chemical processing sector. One further sector has also been recorded. Human exposure to Isotetrandrine can occur through inhalation, oral ingestion, or touch. PFAS Phytotoxin C38H42N2O6 622.7499 622.304287086 9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24(32),25,27(31),35-dodecaene 9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24(32),25,27(31),35-dodecaene 477-57-6 COC1=CC=C2CC3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)C5CC5=CC=C(OC1=C2)C=C5)C=C3OC)=C(OC)C(OC)=C4 InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3 WVTKBKWTSCPRNU-UHFFFAOYSA-N Organic compounds Lignans, neolignans and related compounds Lignans, neolignans and related compounds Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Diarylethers Hydrocarbon derivatives Organopnictogen compounds Oxacyclic compounds Tetrahydroisoquinolines Trialkylamines Alkyl aryl ether Amine Anisole Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Diaryl ether Ether Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxyneolignan skeleton Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline Aromatic heteropolycyclic compounds isoquinolines Detected and Not Quantified logp 5.55 ALOGPS logs -5.32 ALOGPS solubility 2.96e-03 g/l ALOGPS logp 6.48 ChemAxon pka_strongest_basic 8.52 ChemAxon iupac 9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24(32),25,27(31),35-dodecaene ChemAxon average_mass 622.7499 ChemAxon mono_mass 622.304287086 ChemAxon smiles COC1=CC=C2CC3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)C5CC5=CC=C(OC1=C2)C=C5)C=C3OC)=C(OC)C(OC)=C4 ChemAxon formula C38H42N2O6 ChemAxon inchi InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3 ChemAxon inchikey WVTKBKWTSCPRNU-UHFFFAOYSA-N ChemAxon polar_surface_area 61.86 ChemAxon refractivity 180.11 ChemAxon polarizability 68.63 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f723c310f00> 457825 402922