<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3632</id>
  <title>T3D3583</title>
  <common-name>Botulinum toxin</common-name>
  <description>Botulinum toxin is a neurotoxic protein produced by the bacterium Clostridium botulinum. Though it is the most toxic protein known, it may be used in minute doses to treat muscle spasms and in cosmetic treatment, under the brand name Botox. (L1776)</description>
  <cas>93384-43-1</cas>
  <pubchem-id></pubchem-id>
  <chemical-formula nil="true"/>
  <weight>149452.61500000054</weight>
  <appearance>Clear solution.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density></density>
  <solubility>&gt;10 mg/mL</solubility>
  <specific-gravity></specific-gravity>
  <flash-point></flash-point>
  <vapour-pressure></vapour-pressure>
  <route-of-exposure>The chemical complexity of Botulinum Toxin Type A combined with its extreme potency limits the opportunity to study its pharmacokinetic profile in humans. Therefore, no human pharmacokinetic studies have been performed. Botulinum Toxin Type A is injected directly into the target organ, a skeletal muscle. Thus, bioavailability of the intravenous or oral route is not of clinical relevance. Oral (L1816) ; inhalation (L1816) ; dermal contact (if access to bloodstream) (L1816).</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Botulinum toxin is a two-chain polypeptide with a 100-kDa heavy chain joined by a disulfide bond to a 50-kDa light chain. Following the attachment of the toxin heavy chain to proteins on the surface of axon terminals, the toxin can be taken into neurons by endocytosis. The light chain is able to cleave endocytotic vesicles and reach the cytoplasm. The light chain has protease activity and proteolytically degrades the SNAP-25 protein at neuromuscular junctions, preventing vesicles from anchoring to the membrane to release acetylcholine. By inhibiting acetylcholine release, the toxin interferes with nerve impulses and causes flaccid (sagging) paralysis of muscles. (L1776)</mechanism-of-toxicity>
  <metabolism>Free toxin may be removed by opsonization via the reticuloendothelial system (primarily the liver and kidneys) or it may be degraded through cellular internalization via the lysosomes. Lysosomes are membrane-enclosed organelles that contain an array of digestive enzymes, including several proteases.</metabolism>
  <toxicity>Based on toxicological studies, it has been estimated that the human LD50 by injection is approximately 2800 Units, equivalent to 28 individual vials of BOTOX (Botulinum Toxin Type A) Purified Neurotoxin Complex (100 Units) for a 70 kg adult. </toxicity>
  <lethaldose>1 nanogram/kg for an adult human. (L1776)</lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Botulinum toxin is a neurotoxic protein produced by the bacterium Clostridium botulinum. Though it is the most toxic protein known, it may be used in minute doses to treat muscle spasms and in cosmetic treatment, under the brand name Botox (L1776). For the treatment of cervical dystonia in adults to decrease the severity of abnormal head position and neck pain associated with cervical dystonia. Also for the treatment of severe primary axillary hyperhidrosis that is inadequately managed with topical agents and for the treatment of strabismus and blepharospasm associated with dystonia, including benign essential blepharospasm or VII nerve disorders in patients 12 years of age and above. Also used cosmetically to temporarily improve the appearance of moderate-to-severe frown lines between the eyebrows (glabellar lines) as well as for the treatment of excessive underarm sweating.</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Botulinum toxin is an extremely potent neurotoxin that causes paralysis. Death may result from respiratory failure following paralysis of the respiratory muscles. (L1776)</health-effects>
  <symptoms>Adverse effects from the cosmetic use of botulinum toxin include headaches, focal facial paralysis, muscle weakness, dysphagia, flu-like syndromes, and allergic reactions. (L1776)</symptoms>
  <treatment>Treatment consists of antitoxin administration and artificial ventilation until the neurotoxins are excreted or metabolised. The two primary botulinum antitoxins are Trivalent (A,B,E) Botulinum Antitoxin and Heptavalent (A,B,C,D,E,F,G) Botulinum Antitoxin. (L1776)</treatment>
  <created-at type="dateTime">2009-08-12T19:45:06Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:11Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Botox</wikipedia>
  <uniprot-id>P10845</uniprot-id>
  <kegg-compound-id>C07946</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id>Botulinum toxin</stitch-id>
  <drugbank-id>DB00083</drugbank-id>
  <pdb-id>1UEE</pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles nil="true"/>
  <moldb-formula nil="true"/>
  <moldb-inchi nil="true"/>
  <moldb-inchikey nil="true"/>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal" nil="true"/>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id></chemspider-id>
  <structure-image-file-name>1xtf_bio_r_500.jpg</structure-image-file-name>
  <structure-image-content-type>image/jpeg</structure-image-content-type>
  <structure-image-file-size type="integer">41747</structure-image-file-size>
  <structure-image-updated-at type="dateTime">2014-10-14T18:14:19Z</structure-image-updated-at>
  <biodb-id>BSEQ0008528</biodb-id>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
