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Substance Name: N-(Deoxyguanosin-8-yl)-1-aminopyrene
RN: 85989-43-1
InChIKey: QBMJHUSBJZIUSS-IPMKNSEASA-N

Note

  • Major DNA adduct in female rats treated with 1-nitropyrene.

Molecular Formula

  • C26-H22-N6-O4

Molecular Weight

  • 482.498
 
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Names and Synonyms

Name of Substance

  • N-(Deoxyguanosin-8-yl)-1-aminopyrene

Synonyms

  • 2'-Seoxy-8-(1-pyrenylamino)guanosine
  • NDGAP

Systematic Name

  • Guanosine, 2'-deoxy-8-(1-pyrenylamino)-

Registry Numbers

CAS Registry Number

  • 85989-43-1

System Generated Number

  • 0085989431

Structure Descriptors

InChI

1S/C26H22N6O4/c27-25-30-23-22(24(35)31-25)29-26(32(23)19-10-17(34)18(11-33)36-19)28-16-9-7-14-5-4-12-2-1-3-13-6-8-15(16)21(14)20(12)13/h1-9,17-19,33-34H,10-11H2,(H,28,29)(H3,27,30,31,35)/t17-,18+,19+/m0/s1

InChIKey

QBMJHUSBJZIUSS-IPMKNSEASA-N

Smiles

n1c2c([nH]c(nc2=O)N)n(c1Nc1ccc2ccc3c4c(ccc1c24)ccc3)[C@@H]1O[C@@H]([C@H](C1)O)CO