<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4122</id>
  <title>T3D4068</title>
  <common-name>C-Curarine</common-name>
  <description>C-Curarine is a Curare alkaloid that is structurally similar to D-tubocurarine. Curare is a non-depolarizing muscle relaxant that blocks the nicotinic acetylcholine receptor (nAChR), one of the two types of acetylcholine (ACh) receptors, at the neuromuscular junction. The main toxin of curare, D-tubocurarine, occupies the same position on the receptor as ACh with an equal or greater affinity making it a competitive antagonist.</description>
  <cas>7168-64-1</cas>
  <pubchem-id>6391813</pubchem-id>
  <chemical-formula>C40H44N4O</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity>It has been prpoposed that surarine speeds up destruction of chemical transmitter, and raises the threshold point at which excess of the transmitter is able to exert its depressant power. (A15428)</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>The main toxin of curare, D-tubocurarine, occupies the same position on the receptor as ACh with an equal or greater affinity making it a competitive antagonist.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:02:02Z</created-at>
  <updated-at type="dateTime">2026-04-06T11:01:11Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C09144</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H]\C(C)=C1\C[N+]2(C)CCC34C2CC1C1=CN2C5=CC=CC=C5C56CC[N+]7(C)C\C(=C(\[H])C)C(CC57)C5=CN(C7=CC=CC=C37)C41OC265</moldb-smiles>
  <moldb-formula>C40H44N4O</moldb-formula>
  <moldb-inchi>InChI=1S/C40H44N4O/c1-5-25-23-43(3)17-15-37-29-11-7-10-14-34(29)42-22-32-28-20-36-38(16-18-44(36,4)24-26(28)6-2)30-12-8-9-13-33(30)41-21-31(27(25)19-35(37)43)39(37,42)45-40(32,38)41/h5-14,21-22,27-28,35-36H,15-20,23-24H2,1-4H3/q+2/b25-5+,26-6+</moldb-inchi>
  <moldb-inchikey>DWELRYDMYVJVSL-GQBJSJAWSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">596.8025</moldb-average-mass>
  <moldb-mono-mass type="decimal">596.35041489</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>16735754</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003028</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00121179</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>15.71</moldb-polar-surface-area>
  <moldb-refractivity>204.19029999999998</moldb-refractivity>
  <moldb-polarizability>68.7530151558532</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-4.114069983829551</moldb-pka-strongest-basic>
  <moldb-physiological-charge>2</moldb-physiological-charge>
  <moldb-number-of-rings>12</moldb-number-of-rings>
  <moldb-alogps-logp>2.11</moldb-alogps-logp>
  <moldb-alogps-logs>-6.57</moldb-alogps-logs>
  <moldb-alogps-solubility>1.81e-04 g/l</moldb-alogps-solubility>
</compound>
