<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">61881</id>
  <title nil="true"/>
  <common-name>Cefcapene</common-name>
  <description>Cefcapene is an organic compound with the formula C17H19N5O6S2 and an average molecular weight of 453.49 g/mol. Cefcapene belongs to the beta lactams, a subclass of lactams within the organic compounds. It is categorized as an organoheterocyclic compound. This substance has been found in or released from two recorded sources: electrical and electronic equipment, specifically amplifiers, and healthcare, pharmaceuticals and veterinary products, where it serves as an antibiotic. Recorded exposure routes for this compound include oral and inhalation.</description>
  <cas>135889-00-8</cas>
  <pubchem-id>6436055</pubchem-id>
  <chemical-formula>C17H19N5O6S2</chemical-formula>
  <weight>453.5</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-03-31T20:32:53Z</created-at>
  <updated-at type="dateTime">2026-08-19T20:19:57Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB13461</drugbank-id>
  <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>CC\C=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1</moldb-smiles>
  <moldb-formula>C17H19N5O6S2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H19N5O6S2/c1-2-3-8(9-6-30-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-29-14(10)22/h3,6,10,14H,2,4-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26)/b8-3-/t10-,14-/m1/s1</moldb-inchi>
  <moldb-inchikey>HJJRIJDTIPFROI-NVKITGPLSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">453.49</moldb-average-mass>
  <moldb-mono-mass type="decimal">453.077675</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.91</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4940731</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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM057774</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00011577</susdat-id>
  <iupac>(6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Lactams</klass>
  <subklass>Beta lactams</subklass>
  <paper-count type="integer">376</paper-count>
  <sync-id>CED0012284</sync-id>
  <structure-inchikey>HJJRIJDTIPFROI-NVKITGPLSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000080000000000000081200000000000040000004d000000000000002000020000000000000002014000000000000000080020100000000000000000080000000000200000000000020000010080320000000000040400000000080010000000000011000802000000000020180000000000000020000100000000041001000000000000000000080001000000000200000020009008001000000000000000000000000080000000000000040024000000000000900000000000001000000000000000000000000000000000000000000000000000000200000000000000001000040000000000420000000000000000000020004008000</structure-fingerprint>
  <structure-pattern-fingerprint>7004400085129601818013648128e0603082140081052010043420408630484c54269052138000010b08490a00c04000046002adc08c3201061e643940a04000c7110440529044800092106006722310080495d053211fb341550462482209840c38052f004802016000008cddb4024020868270a18de10431182f6602530002104400d84ef082091c061252c86c4008391c481644401e0a5014887068c040c450f3103012b2c00022048964056c35104ad04222894108401a804e140c400212a09040b624d01a3301c007c4547102900c09001003407a224d4022842a03830091904d1018c9102c53080411511a30820852153090c2042e910010805a400007</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�������������������� ���€���`�������`�������h��������(�������(�������(�������h������� 4������� 4�������� ������`�������(�������`�������(�������(�������h��������(�������(�������(�������(�������(�������(�������h��������(������@(������@h�������@(������@(�������h�������@(���������������*�������$���(��� �������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:15:07Z</structure-indexed-at>
</compound>
