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Substance Name: 4-(N-2-Chloroethyl-N-methylamino)benzyl-gamma-amide datp
RN: 75795-00-5
InChIKey: HSFHKUYDMHPOSJ-FNNWXVPJSA-N

Note

  • Cpd is 2'-deoxy.

Molecular Weight

  • 671.862
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • Cemabga-datp
  • Datp gamma-4-(N-2-chloroethyl-N-methylamino)benzylamidate

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monoanhydride with ((4-((2-chloroethyl)methylamino)phenyl)methyl)phosphoramidic acid

Registry Numbers

CAS Registry Number

  • 75795-00-5

System Generated Number

  • 0075795005

Structure Descriptors

InChI

1S/C20H29ClN7O11P3/c1-27(7-6-21)14-4-2-13(3-5-14)9-26-40(30,31)38-42(35,39-41(32,33)34)36-10-16-15(29)8-17(37-16)28-12-25-18-19(22)23-11-24-20(18)28/h2-5,11-12,15-17,29H,6-10H2,1H3,(H2,22,23,24)(H2,26,30,31)(H2,32,33,34)/t15-,16+,17+,42?/m0/s1

InChIKey

HSFHKUYDMHPOSJ-FNNWXVPJSA-N

Smiles

O=[P@@](O[P@@](OP(=O)(O)O)(=O)OC[C@@H]1[C@@H](O)C[C@@H](O1)n1cnc2c(N)ncnc12)(O)NCc1ccc(cc1)N(C)CCCl