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Substance Name: Tallimustine [INN]
RN: 115308-98-0
UNII: 71193OXG6S
InChIKey: ARKYUICTMUZVEW-UHFFFAOYSA-N

Classification Codes

  • Alkylating Agents
  • Antineoplastic Agents
  • Antineoplastic Agents, Alkylating
  • Noxae

Molecular Formula

  • C32-H38-Cl2-N10-O4

Molecular Weight

  • 697.624
 
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Names and Synonyms

Name of Substance

  • Fce 24517
  • Tallimustine [INN]

Synonyms

  • N'-(2-Amidinoethyl)-4-(p-(bis(2-chloroethyl)amino)benzamido)-1,1',1'-trimethyl-N,4':N',4'-ter(pyrrole-2-carboxamide)
  • Tallimustine
  • UNII-71193OXG6S

Systematic Names

  • 1H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((4-(bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-
  • N''-(2-Amidinoethyl)-4-(p-(bis(2-chloroethyl)amino)benzamido)-1,1',1''-trimethyl-N,4':N',4''-ter(pyrrole-2-carboxamide)

Registry Numbers

CAS Registry Number

  • 115308-98-0

FDA UNII

  • 71193OXG6S

System Generated Number

  • 0115308980

Structure Descriptors

InChI

1S/C32H38Cl2N10O4/c1-41-18-22(14-25(41)30(46)37-11-8-28(35)36)39-32(48)27-16-23(19-43(27)3)40-31(47)26-15-21(17-42(26)2)38-29(45)20-4-6-24(7-5-20)44(12-9-33)13-10-34/h4-7,14-19H,8-13H2,1-3H3,(H3,35,36)(H,37,46)(H,38,45)(H,39,48)(H,40,47)

InChIKey

ARKYUICTMUZVEW-UHFFFAOYSA-N

Smiles

c1c(ccc(c1)N(CCCl)CCCl)C(Nc1cn(C)c(C(Nc2cc(n(c2)C)C(Nc2cc(C(NCCC(=N)N)=O)n(C)c2)=O)=O)c1)=O