Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: N-Acetyl-N-((9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo(a)pyren-4-yl)acetate
RN: 113668-44-3
InChIKey: RGVJKZSHVIXJAN-GBXCKJPGSA-N

Molecular Formula

  • C24-H19-N-O4

Molecular Weight

  • 385.417
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 4-(N,N-Diacetylamino)benzo(a)pyrene-trans-9,10-dihydrodiol
  • N-Acetyl-N-((9S,10S)-9,10-dihydroxy-9,10-dihydrobenzo(a)pyren-4-yl)acetate

Registry Numbers

CAS Registry Number

  • 113668-44-3

System Generated Number

  • 0113668443

Structure Descriptors

InChI

1S/C24H19NO4/c1-12(26)25(13(2)27)19-11-16-10-15-7-9-20(28)24(29)23(15)18-8-6-14-4-3-5-17(19)21(14)22(16)18/h3-11,20,24,28-29H,1-2H3/t20-,24+/m0/s1

InChIKey

RGVJKZSHVIXJAN-GBXCKJPGSA-N

Smiles

C(C)(=O)N(c1cc2cc3c(c4ccc5cccc1c5c24)[C@@H]([C@H](C=C3)O)O)C(=O)C