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Substance Name: Amp-4-(N-2-chloroethyl-N-methylamino)benzylamidate
RN: 32455-51-9
InChIKey: HZJTWAKQXMPJCT-WVSUBDOOSA-N

Molecular Formula

  • C20-H27-Cl-N7-O6-P

Molecular Weight

  • 527.9033
 
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Names and Synonyms

Name of Substance

  • Amp-4-(N-2-chloroethyl-N-methylamino)benzylamidate

Synonyms

  • Adenosine monophosphate-4-(N-2-chloroethyl-N-methylamino)benzylamidate
  • Amp-cmb

Systematic Names

  • Adenosine, 5'-(hydrogen ((4-((2-chloroethyl)methylamino)phenyl)methyl)phosphoramidate)
  • Adenosine, 5'-(hydrogen(p-((2-chloroethyl)methylamino)benzyl)phosphoramidate)

Registry Numbers

CAS Registry Number

  • 32455-51-9

System Generated Number

  • 0032455519

Structure Descriptors

InChI

1S/C20H27ClN7O6P/c1-27(7-6-21)13-4-2-12(3-5-13)8-26-35(31,32)33-9-14-16(29)17(30)20(34-14)28-11-25-15-18(22)23-10-24-19(15)28/h2-5,10-11,14,16-17,20,29-30H,6-9H2,1H3,(H2,22,23,24)(H2,26,31,32)/t14-,16-,17-,20-/m1/s1

InChIKey

HZJTWAKQXMPJCT-WVSUBDOOSA-N

Smiles

CN(CCCl)c1ccc(cc1)CNP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O