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Substance Name: Tallimustine hydrochloride
RN: 118438-45-2
UNII: JWV8AC9E4V
InChIKey: BLSOATWWAGIRGE-UHFFFAOYSA-N

Molecular Formula

  • C32-H38-Cl2-N10-O4.Cl-H

Molecular Weight

  • 734.0757
 
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Names and Synonyms

Name of Substance

  • Tallimustine hydrochloride

Synonyms

  • FCE-24517
  • 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-1H-pyrrole-2-carboxamide hydrochloride
  • Tallimustine hydrochloride
  • UNII-JWV8AC9E4V

Registry Numbers

CAS Registry Number

  • 118438-45-2

FDA UNII

  • JWV8AC9E4V

System Generated Number

  • 0118438452

Structure Descriptors

InChI

1S/C32H38Cl2N10O4.ClH/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);1H

InChIKey

BLSOATWWAGIRGE-UHFFFAOYSA-N

Smiles

Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(cc4)N(CCCl)CCCl)cn3C)cn2C)cc1C(=O)NCCC(=N)N