mitomycin C   Click here for help

GtoPdb Ligand ID: 7089

Synonyms: Mitosol® | NSC-26980
Approved drug
mitomycin C is an approved drug (FDA (1981))
Comment: Mitomycin C is an antineoplastic drug, with DNA alkylating activity. It is one of the mitomycin family of compounds, isolated from Streptomyces caespitosus or Streptomyces lavendulae.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 147.88
Molecular weight 334.13
XLogP -0.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COC12C3NC3CN2C2=C(C1COC(=N)O)C(=O)C(=C(C2=O)C)N
Isomeric SMILES CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@H]1COC(=N)O)C(=O)C(=C(C2=O)C)N
InChI InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1
InChI Key NWIBSHFKIJFRCO-WUDYKRTCSA-N
Classification Click here for help
Compound class Natural product or derivative
Approved drug? Yes (FDA (1981))
International Nonproprietary Names Click here for help
INN number INN
3043 mitomycin
Synonyms Click here for help
Mitosol® | NSC-26980
Database Links Click here for help
CAS Registry No. 1404-00-8 (source: Scifinder)
ChEBI CHEBI:27504
ChEMBL Ligand CHEMBL105
DrugBank Ligand DB00305
DrugCentral Ligand 1819
GtoPdb PubChem SID 178103667
PubChem CID 5746
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UniChem Compound Search for chemical match using the InChIKey NWIBSHFKIJFRCO-WUDYKRTCSA-N
UniChem Connectivity Search for chemical match using the InChIKey NWIBSHFKIJFRCO-WUDYKRTCSA-N

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Tocris
Mitomycin C
Cat. No. 3258