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Substance Name: Adenosine, thymidylyl-(3'-5')-8-((1,1'-biphenyl)-4-ylamino)-2'-deoxyguanylyl-(3'-5')-2'-deoxycytidylyl-(3'-5')-2'-deoxy-
RN: 107541-11-7
InChIKey: QMKLBXMLNJFBLO-UHFFFAOYSA-N

Molecular Formula

  • C51-H59-N16-O22-P3

Molecular Weight

  • 1341.0391
 
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Names and Synonyms

  • Adenosine, thymidylyl-(3'-5')-8-((1,1'-biphenyl)-4-ylamino)-2'-deoxyguanylyl-(3'-5')-2'-deoxycytidylyl-(3'-5')-2'-deoxy-

Registry Numbers

CAS Registry Number

  • 107541-11-7

System Generated Number

  • 0107541117

Structure Descriptors

InChI

1S/C51H59N16O22P3/c1-24-17-65(51(73)63-46(24)70)39-14-29(32(18-68)83-39)87-91(76,77)82-21-35-31(16-40(86-35)67-45-42(47(71)62-48(54)61-45)60-49(67)58-27-9-7-26(8-10-27)25-5-3-2-4-6-25)89-92(78,79)81-20-34-30(15-38(85-34)64-12-11-36(52)59-50(64)72)88-90(74,75)80-19-33-28(69)13-37(84-33)66-23-57-41-43(53)55-22-56-44(41)66/h2-12,17,22-23,28-35,37-40,68-69H,13-16,18-21H2,1H3,(H,58,60)(H,74,75)(H,76,77)(H,78,79)(H2,52,59,72)(H2,53,55,56)(H,63,70,73)(H3,54,61,62,71)

InChIKey

QMKLBXMLNJFBLO-UHFFFAOYSA-N

Smiles

CC1=CN(C2CC(OP(=O)(O)OCC3OC(CC3OP(=O)(O)OCC4OC(CC4OP(=O)(O)OCC5OC(CC5O)n6cnc7c(N)ncnc67)N8C=CC(=NC8=O)N)n9c(Nc%10ccc(cc%10)c%11ccccc%11)nc%12C(=O)NC(=Nc9%12)N)C(CO)O2)C(=O)NC1=O