{
  "id": 2198,
  "name": "pirarubicin",
  "cas_reg_no": "72496-41-4",
  "smiles": "COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]4C[C@H](N)[C@H](O[C@@H]5CCCCO5)[C@H](C)O4)C(=O)CO)C(O)=C3C(=O)C2=CC=C1",
  "inchikey": "KMSKQZKKOZQFFG-YXRRJAAWSA-N",
  "inchi": "InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14-,17-,19-,21+,22-,31+,32-/m0/s1",
  "formula": "C32H37NO12",
  "molweight": 627.643,
  "xrefs": [
    {
      "xref_type": "KEGG_DRUG",
      "xref": "D01885"
    },
    {
      "xref_type": "UMLSCUI",
      "xref": "C1519093"
    },
    {
      "xref_type": "CHEBI",
      "xref": "CHEBI:94770"
    },
    {
      "xref_type": "ChEMBL_ID",
      "xref": "CHEMBL2354444"
    },
    {
      "xref_type": "ChEMBL_ID",
      "xref": "CHEMBL1398373"
    },
    {
      "xref_type": "DRUGBANK_ID",
      "xref": "DB11616"
    },
    {
      "xref_type": "MESH_SUPPLEMENTAL_RECORD_UI",
      "xref": "C027260"
    },
    {
      "xref_type": "INN_ID",
      "xref": "5877"
    },
    {
      "xref_type": "UNII",
      "xref": "D58G680W0G"
    },
    {
      "xref_type": "PUBCHEM_CID",
      "xref": "6917695"
    },
    {
      "xref_type": "RXNORM",
      "xref": "33764"
    },
    {
      "xref_type": "NDDF",
      "xref": "005780"
    },
    {
      "xref_type": "SNOMEDCT_US",
      "xref": "713434008"
    }
  ],
  "synonyms": [
    "pinorubicin",
    "pirarubicin",
    "therarubicin"
  ],
  "atcs": [
    {
      "atc_code": "G02AD05",
      "atc_l1_code": "G",
      "atc_l1_name": "GENITO URINARY SYSTEM AND SEX HORMONES",
      "atc_l2_code": "G02",
      "atc_l2_name": "OTHER GYNECOLOGICALS",
      "atc_l3_code": "G02A",
      "atc_l3_name": "UTEROTONICS",
      "atc_l4_code": "G02AD",
      "atc_l4_name": "Prostaglandins",
      "atc_substance": "sulprostone"
    }
  ]
}