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Substance Name: Nimustine [INN]
RN: 42471-28-3
UNII: 0S726V972K
InChIKey: VFEDRRNHLBGPNN-UHFFFAOYSA-N

Note

  • Antineoplastic agent especially effective against malignant brain tumors. The resistance which brain tumor cells acquire to the initial effectiveness of this drug can be partially overcome by the simultaneous use of membrane-modifying agents such as reserpine, calcium antagonists such as nicardipine or verapamil, or the calmodulin inhibitor, trifluoperazine. The drug has also been used in combination with other antineoplastic agents or with radiotherapy for the treatment of various neoplasms.

Molecular Formula

  • C9-H13-Cl-N6-O2

Molecular Weight

  • 272.6947
 

Classification Codes

  • Antineoplastic Agents
  • Mutation Data
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Nimustine
  • Nimustine [INN]

MeSH Heading

  • Nimustine

Synonyms

  • 1-(4-Amino-2-methyl-5-pyrimidinyl)methyl-3-(2-chloroethyl)-3-nitrosourea
  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-1-(2-chloroethyl)-1-nitrosourea
  • 3-(4-Amino-2-methyl-5-pyrimidinyl)methyl-1-(2-chloroethyl)-1-nitrosourea
  • 5-25-12-00136 (Beilstein Handbook Reference)
  • BRN 0685903
  • CCRIS 2751
  • EINECS 255-838-1
  • Nimustina
  • Nimustina [INN-Spanish]
  • Nimustine
  • Nimustinum
  • Nimustinum [INN-Latin]
  • UNII-0S726V972K

Systematic Names

  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-1-(2-chloroethyl)-1-nitrosourea
  • Nimustin
  • Nimustine
  • Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-

Registry Numbers

CAS Registry Number

  • 42471-28-3

FDA UNII

  • 0S726V972K

System Generated Number

  • 0042471283

Structure Descriptors

InChI

1S/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)

InChIKey

VFEDRRNHLBGPNN-UHFFFAOYSA-N

Smiles

c1(c(nc(C)nc1)N)CNC(N(CCCl)N=O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.39 (none)   EXP
Water Solubility 8190 mg/L 25 EST
Vapor Pressure 1.87E-08 mm Hg 25 EST
Henry's Law Constant 1.74E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.93E-12 cm3/molecule-sec 25 EST

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