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Substance Name: Degratef
RN: 89457-62-5
InChIKey: GZPFRCKKMAQMOG-AEPGWJEHSA-N

Molecular Weight

  • 812.38
 
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Names and Synonyms

Results Name

  • Degratef

Synonyms

  • Adenosine-5'-triphosphate, 1,6-bis(2-chloroethylamino)-1,6-didesoxy-D-mannitol salt
  • Degratef

Registry Numbers

CAS Registry Number

  • 89457-62-5

System Generated Number

  • 0089457625

Structure Descriptors

InChI

1S/C10H22Cl2N2O4.C10H16N5O13P3/c11-1-3-13-5-7(15)9(17)10(18)8(16)6-14-4-2-12;11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h7-10,13-18H,1-6H2;2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t7-,8-,9-,10-;4-,6-,7-,10-/m11/s1

InChIKey

GZPFRCKKMAQMOG-AEPGWJEHSA-N

Smiles

C(NCCCl)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNCCCl.C([C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1cnc2c(N)ncnc12)O[P@@](O[P@@](OP(=O)(O)O)(=O)O)(=O)O