chempirical

Mitomycin C

C15H18N4O5CAS 50-07-7334.33 g/mol

Open in Covalent MOL file
OONH2OONH2ONNH
AlkeneEtherKetonePrimary amineSecondary amineTertiary amine

Properties

Molecular formula
C15H18N4O5
Molar mass
334.33 g/mol
Exact mass
334.1277 Da
Melting point
above 360 °C
Boiling point
534 °C
logP
-1.24Crippen estimate
Polar surface area
147.9 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
3
Stereocentres
R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
50-07-7
SMILES
CO[C@@]12[C@H](COC(=N)O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12
InChIKey
NWIBSHFKIJFRCO-WUDYKRTCSA-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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Azirino[2′,3′:3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS,8S,8aR,8bS)-
  • Azirino[2′,3′:3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)
  • Azirino[2′,3′:3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, [1aS-(1aα,8β,8aα,8bα)]-
  • (1aS,8S,8aR,8bS)-6-Amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino[2′,3′:3,4]pyrrolo[1,2-a]indole-4,7-dione
  • Ametycine
  • NSC 26980
  • Mitomycin
  • MitoExtra
  • Mitonco
  • Mitoplus
  • MMC
  • Mitocin C
  • Mutamycin
  • Mytomycin kyowa S
  • Mitozytrex

Work with Mitomycin C

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Elsewhere

PubChem CAS Common Chemistry NIST WebBook