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Substance Name: P(1),P(2)-Bis(O(2'),O(3')-dibutyryl-6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate
RN: 83385-96-0
InChIKey: GHGJUDDMIJBYBR-IZLPLGNVSA-N

Note

  • Partially circumvents resistance to 6-mercaptopurine.

Molecular Weight

  • 990.894
 
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Names and Synonyms

Name of Substance

  • P(1),P(2)-Bis(O(2'),O(3')-dibutyryl-6-mercaptopurine-9 beta-ribofuranoside)-5'-pyrophosphate

Synonyms

  • Bis(dibutyryl-mprp)
  • P1,P2-Bis(dmrp)

Systematic Name

  • Inosine 5'-(trihydrogen-diphosphate), 6-thio-, 2',3'-dibutanoate, 5'-5'-ester with 6-thioinosine 2',3'-dibutanoate

Registry Numbers

CAS Registry Number

  • 83385-96-0

System Generated Number

  • 0083385960

Structure Descriptors

InChI

1S/C36H48N8O17P2S2/c1-5-9-21(45)57-27-19(55-35(29(27)59-23(47)11-7-3)43-17-41-25-31(43)37-15-39-33(25)64)13-53-62(49,50)61-63(51,52)54-14-20-28(58-22(46)10-6-2)30(60-24(48)12-8-4)36(56-20)44-18-42-26-32(44)38-16-40-34(26)65/h15-20,27-30,35-36H,5-14H2,1-4H3,(H,49,50)(H,51,52)(H,37,39,64)(H,38,40,65)/t19-,20-,27-,28-,29-,30-,35-,36-/m1/s1

InChIKey

GHGJUDDMIJBYBR-IZLPLGNVSA-N

Smiles

O(C[C@H]1O[C@H]([C@@H]([C@@H]1OC(CCC)=O)OC(CCC)=O)n1cnc2c(S)ncnc12)[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n1cnc2c(S)ncnc12)OC(CCC)=O)OC(CCC)=O