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Substance Name: 7-(Deoxyadenosin-N(6)-yl)aristolactam I
RN: 127191-86-0
InChIKey: XHHBEDPFSNICRL-UHFFFAOYSA-N

Note

  • An aristolochic acid bound adenosine.

Molecular Formula

  • C27-H22-N6-O7

Molecular Weight

  • 542.506
 
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Names and Synonyms

Name of Substance

  • 7-(Deoxyadenosin-N(6)-yl)aristolactam I

Synonym

  • dA-Aai

Systematic Name

  • Adenosine, 2'-deoxy-N-(5,6-dihydro-8-methoxy-5-oxobenzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-7-yl)-

Registry Numbers

CAS Registry Number

  • 127191-86-0

System Generated Number

  • 0127191860

Structure Descriptors

InChI

1S/C27H22N6O7/c1-37-14-4-2-3-11-18(14)21(22-19-12(27(36)32-22)5-15-24(20(11)19)39-10-38-15)31-25-23-26(29-8-28-25)33(9-30-23)17-6-13(35)16(7-34)40-17/h2-5,8-9,13,16-17,34-35H,6-7,10H2,1H3,(H,32,36)(H,28,29,31)

InChIKey

XHHBEDPFSNICRL-UHFFFAOYSA-N

Smiles

c12c(c(Nc3c4c(OC)cccc4c4c5c3NC(c5cc3c4OCO3)=O)ncn1)ncn2[C@@H]1O[C@@H]([C@@H](C1)O)CO