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Substance Name: Bofumustine [INN]
RN: 55102-44-8
UNII: 6P52D0J76B
InChIKey: YASNUXZKZNVXIS-CBNXCZCTSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C18-H21-Cl-N4-O9

Molecular Weight

  • 472.8359
 
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Names and Synonyms

Name of Substance

  • Bofumustine [INN]

Synonyms

  • (Chloro-2-ethyl)-1-(ribofuranosylisopropylidene-2'-3'-paranitrobenzoate-5')-3-nitrosourea
  • (Cloro-2-etil)-1-(ribofuranosilisopropilidene-2',3'-paranitrobenzoato)-3-nitrosourea
  • Bofumustina
  • Bofumustina [INN-Spanish]
  • Bofumustina [Spanish]
  • Bofumustine
  • Bofumustinum
  • Bofumustinum [INN-Latin]
  • Furo(3,4-d)-1,3-dioxole, urea deriv. (9CI)
  • I.C.I.G. 1105
  • ICIG 1105
  • NSC 279194
  • RFCNU
  • UNII-6P52D0J76B

Systematic Names

  • 1-(2-Chloroethyl)-3-(2,3-O-isopropylidene-D-ribofuranosyl)-1-nitrosourea 5'-(p-nitrobenzoate)
  • Urea, 1-(2-chloroethyl)-1-nitroso-3-ribofuranosyl-, 5'-(p-nitrobenzoate), 2',3'-cyclicacetal with acetone
  • Urea, N-(2-chloroethyl)-N'-(2,3-O-(1-methylethylidene)-5-O-(4-nitrobenzoyl)-D-ribofuranosyl)-N-nitroso-

Registry Numbers

CAS Registry Number

  • 55102-44-8

FDA UNII

  • 6P52D0J76B

Other Registry Number

  • 58779-42-3

System Generated Number

  • 0055102448

Structure Descriptors

InChI

1S/C18H21ClN4O9/c1-18(2)31-13-12(9-29-16(24)10-3-5-11(6-4-10)23(27)28)30-15(14(13)32-18)20-17(25)22(21-26)8-7-19/h3-6,12-15H,7-9H2,1-2H3,(H,20,25)/t12-,13-,14-,15?/m1/s1

InChIKey

YASNUXZKZNVXIS-CBNXCZCTSA-N

Smiles

CC1(C)O[C@@H]2[C@@H](COC(=O)c3ccc(cc3)[N+](=O)[O-])OC(NC(=O)N(CCCl)N=O)[C@@H]2O1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   INSERM Symposium. Vol. 19, Pg. 123, 1981.