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Substance Name: 4-(N-(2-Chloroethyl)-N-methylamino)benzyl-gamma-amide dttp
RN: 69564-70-1
InChIKey: NXVIQUITOGXSDJ-RCCFBDPRSA-N

Molecular Weight

  • 662.847
 
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Names and Synonyms

Name of Substance

  • 4-(N-(2-Chloroethyl)-N-methylamino)benzyl-gamma-amide dttp

Synonyms

  • Cemabga-dttp
  • Dttp gamma-4-(N-2-chloroethyl-N-methylamino)benzylamidate

Systematic Name

  • Thymidine 5'-(trihydrogen diphosphate) P'-anhydride with ((4-((2-chloroethyl)methylamino)phenyl)methyl)phosphoramidic acid

Registry Numbers

CAS Registry Number

  • 69564-70-1

System Generated Number

  • 0069564701

Structure Descriptors

InChI

1S/C20H30ClN4O13P3/c1-13-11-25(20(28)23-19(13)27)18-9-16(26)17(36-18)12-35-40(31,32)38-41(33,34)37-39(29,30)22-10-14-3-5-15(6-4-14)24(2)8-7-21/h3-6,11,16-18,26H,7-10,12H2,1-2H3,(H,31,32)(H,33,34)(H2,22,29,30)(H,23,27,28)/t16-,17+,18+/m0/s1

InChIKey

NXVIQUITOGXSDJ-RCCFBDPRSA-N

Smiles

N(Cc1ccc(N(C)CCCl)cc1)[P@@](O[P@@](O)(O[P@@](OC[C@@H]1[C@@H](O)C[C@@H](O1)n1c(=O)[nH]c(=O)c(C)c1)(=O)O)=O)(O)=O