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Substance Name: Mitomycin A
RN: 4055-39-4
UNII: 87TMG6FJHV
InChIKey: HYFMSAFINFJTFH-NGSRAFSJSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C16-H19-N3-O6

Molecular Weight

  • 349.341
 
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Names and Synonyms

Name of Substance

  • Mitomycin A

Synonyms

  • HSDB 3418
  • Mitomycin A
  • NSC 75986
  • UNII-87TMG6FJHV

Systematic Names

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-6,8a-dimethoxy-5-methyl-, carbamate (ester)
  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-5-methyl-, (1aR-(1aalpha,8beta,8aalpha,8balpha))- (9CI)

Registry Numbers

CAS Registry Number

  • 4055-39-4

FDA UNII

  • 87TMG6FJHV

System Generated Number

  • 0004055394

Structure Descriptors

InChI

1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1

InChIKey

HYFMSAFINFJTFH-NGSRAFSJSA-N

Smiles

N12[C@@]([C@@H](C=3C(C(OC)=C(C(C13)=O)C)=O)COC(N)=O)([C@H]1[C@H](C2)N1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 2mg/kg (2mg/kg)   Antibiotics and Chemotherapy Vol. 8, Pg. 228, 1958.
mouse LD50 intraperitoneal 2100ug/kg (2.1mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 1461, 1993.
mouse LD50 intravenous 1mg/kg (1mg/kg)   "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967Vol. -, Pg. 421, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.730 (none)   EST
Water Solubility 1.32E+04 mg/L 25 EST
Vapor Pressure 1.12E-09 mm Hg 25 EST
Henry's Law Constant 1.74E-22 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.11E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.