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Substance Name: 7,8-Dihydroxy-9,10-epoxide-7,8,9,10-tetrahydrobenzo(a)pyrene-10-deoxyguanosine
RN: 62698-04-8
InChIKey: WOKFWJGVLJVTLH-STDLFCEZSA-N

Note

  • Deoxyguanosine attached to benzopyrene derivative through its 2-amino group.

Molecular Formula

  • C30-H27-N5-O7

Molecular Weight

  • 569.571
 
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Names and Synonyms

Name of Substance

  • 7,8-Dihydroxy-9,10-epoxide-7,8,9,10-tetrahydrobenzo(a)pyrene-10-deoxyguanosine

Synonyms

  • Bpde-dG
  • Bpde-N(2)-dG
  • trans-(7R)-N(2)-(7beta,8alpha,9alpha-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyren-10-yl)deoxyguanosine

Systematic Names

  • Guanosine, 2'-deoxy-N-(7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)-
  • Guanosine, 2'-deoxy-N-(7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)-, (7alpha,8beta,9beta,10alpha)-

Registry Numbers

CAS Registry Number

  • 62698-04-8

System Generated Number

  • 0062698048

Structure Descriptors

InChI

1S/C30H27N5O7/c36-10-18-17(37)9-19(42-18)35-11-31-24-28(35)33-30(34-29(24)41)32-23-22-15-7-6-13-3-1-2-12-4-5-14(21(15)20(12)13)8-16(22)25(38)27(40)26(23)39/h1-8,11,17-19,23,25-27,36-40H,9-10H2,(H2,32,33,34,41)/t17-,18+,19+,23?,25?,26?,27?/m0/s1

InChIKey

WOKFWJGVLJVTLH-STDLFCEZSA-N

Smiles

C1[C@@H]([C@H](O[C@H]1n1c2c(c(nc(N[C@@H]3[C@@H]([C@@H]([C@@H](c4c3c3c5c6c(ccc5c4)cccc6cc3)O)O)O)[nH]2)=O)nc1)CO)O