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Substance Name: Mitomycin B
RN: 4055-40-7
UNII: VT1IGL3D7V
InChIKey: UZUUQCBCWDBYCG-DQRAMIIBSA-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 B

Synonyms

  • HSDB 3419
  • Mitomycin B
  • UNII-VT1IGL3D7V

Systematic Name

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-8-(hydroxymethyl)-6-methoxy-1,5-dimethyl-, 8-carbamate

Registry Numbers

CAS Registry Number

  • 4055-40-7

FDA UNII

  • VT1IGL3D7V

System Generated Number

  • 0004055407

Structure Descriptors

InChI

1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)24-3)7(5-25-15(17)22)16(23)14-8(18(14)2)4-19(10)16/h7-8,14,23H,4-5H2,1-3H3,(H2,17,22)/t7-,8-,14-,16+,18?/m0/s1

InChIKey

UZUUQCBCWDBYCG-DQRAMIIBSA-N

Smiles

N12[C@@]([C@H]3[C@H](C2)[N@@]3C)([C@H](C=2C(C(OC)=C(C(C12)=O)C)=O)COC(N)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4500ug/kg (4.5mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 1461, 1993.
mouse LD50 intravenous 3mg/kg (3mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 103, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.770 (none)   EST
Water Solubility 1.01E+05 mg/L 25 EST
Vapor Pressure 6.15E-12 mm Hg 25 EST
Henry's Law Constant 1.20E-24 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.23E-11 cm3/molecule-sec 25 EST

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