<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">23269</id>
  <title nil="true"/>
  <common-name>Porfimer</common-name>
  <description>Porfimer is an organic compound with the chemical formula C99H110N12O13. Porfimer belongs to the porphyrins, a subclass of tetrapyrroles and derivatives within the organic compounds. With an average molecular weight of 1,676 g/mol, Porfimer is a heavy molecule. It is categorized as an organoheterocyclic compound.

In terms of its application, Porfimer is found in or released from one recorded source: antineoplastic agents within healthcare, pharmaceuticals, and veterinary products. The recorded route of exposure for this compound is intravenous. Porfimer has two recorded protein targets, acting as an antagonist or other unknown modulator of the low-density lipoprotein receptor (LDLR) and the high affinity immunoglobulin gamma Fc receptor I (FCGR1A).</description>
  <cas>87806-31-3</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C99H110N12O13</chemical-formula>
  <weight nil="true"/>
  <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">2016-05-25T18:22:25Z</created-at>
  <updated-at type="dateTime">2026-04-13T20:34:59Z</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>DB00707</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 nil="true"/>
  <moldb-formula>C99H110N12O13</moldb-formula>
  <moldb-inchi>InChI=1S/C99H110N12O13/c1-43-46(4)70-37-88-97(55(13)79(109-88)34-76-51(9)63(21-27-93(116)117)84(106-76)40-82-61(19-25-91(112)113)49(7)73(103-82)31-67(43)100-70)58(16)123-59(17)98-56(14)80-35-77-53(11)65(23-29-95(120)121)86(108-77)42-87-66(54(12)75(105-87)33-69-44(2)47(5)71(101-69)38-89(98)110-80)24-30-96(122)124-60(18)99-57(15)81-36-78-52(10)64(22-28-94(118)119)85(107-78)41-83-62(20-26-92(114)115)50(8)74(104-83)32-68-45(3)48(6)72(102-68)39-90(99)111-81/h31-36,40-42,58-60,70-72,103-105,109-111H,19-30,37-39H2,1-18H3,(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)/b73-31-,74-32-,75-33-,76-34-,77-35-,78-36-,82-40-,83-41-,87-42-</moldb-inchi>
  <moldb-inchikey>NYQGMKORVNYSLZ-DZGUDHBZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1676.0053</moldb-average-mass>
  <moldb-mono-mass type="decimal">1674.831531666</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM022164</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00122727</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>379.65</moldb-polar-surface-area>
  <moldb-refractivity>496.59780000000006</moldb-refractivity>
  <moldb-polarizability>196.88597234726944</moldb-polarizability>
  <moldb-rotatable-bond-count>25</moldb-rotatable-bond-count>
  <moldb-acceptor-count>21</moldb-acceptor-count>
  <moldb-donor-count>11</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.444383006617305</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.453797805497906</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>15</moldb-number-of-rings>
  <moldb-alogps-logp>5.87</moldb-alogps-logp>
  <moldb-alogps-logs>-5.02</moldb-alogps-logs>
  <moldb-alogps-solubility>1.59e-02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Tetrapyrroles and derivatives</klass>
  <subklass>Porphyrins</subklass>
  <paper-count type="integer">230</paper-count>
  <sync-id>CED0007997</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle type="binary" nil="true" encoding="base64"/>
  <structure-indexed-at type="dateTime" nil="true"/>
</compound>
