<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-31 21:27:24 UTC</creation_date>
  <update_date>2026-05-20 19:30:20 UTC</update_date>
  <accession/>
  <common_name>4-Epianhydrotetracycline</common_name>
  <class>SmallMolecule</class>
  <description>4-Epianhydrotetracycline belongs to the tetracyclines, a class of phenylpropanoids and polyketides within the organic compounds. This compound has the formula C22H22N2O7 and an average molecular weight of 426.43 g/mol. It is found in or released from one recorded source: healthcare, pharmaceuticals &amp; veterinary products (Antibiotics). Recorded exposure routes for 4-Epianhydrotetracycline include inhalation and oral routes.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(4R,4aS,12aS)-4-(Dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tetracenecarboxamide</synonym>
    <synonym>(4R,4aS,12aS)-4-(Dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide</synonym>
    <synonym>2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, (4R,4aS,12aS)-</synonym>
    <synonym>4-EPI ANHYDROTETRACYCLINE</synonym>
    <synonym>4-Epianhydrotetracycline</synonym>
    <synonym>4-epianhydrotetracycline HCl</synonym>
    <synonym>Epi-Anhydrotetracycli???ne</synonym>
    <synonym>MFCD01713299</synonym>
    <synonym>UNII-680VDL31MX</synonym>
    <synonym>UNII:680VDL31MX</synonym>
    <synonym>[7518-17-4]</synonym>
  </synonyms>
  <chemical_formula>C22H22N2O7</chemical_formula>
  <average_molecular_weight>426.425</average_molecular_weight>
  <monisotopic_moleculate_weight>426.142701</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>7518-17-4</cas_registry_number>
  <smiles>[H][C@@]12CC3=C(C)C4=CC=CC(O)=C4C(O)=C3C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]2N(C)C</smiles>
  <inchi>InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16+,22-/m0/s1</inchi>
  <inchikey>CXCVEERYMJZMMM-WPINSWFRSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>426.425</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>426.142701</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H][C@@]12CC3=C(C)C4=CC=CC(O)=C4C(O)=C3C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]2N(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C22H22N2O7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16+,22-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CXCVEERYMJZMMM-WPINSWFRSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72776a9ed8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>54678401</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>21489601</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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  </targets>
</compound>
