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Substance Name: Benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt
RN: 63041-33-8
InChIKey: YSXWLJGNGBZMHU-UHFFFAOYSA-L

Molecular Formula

  • C22-H10-O4.2Na

Molecular Weight

  • 384.297
 
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Names and Synonyms

Synonyms

  • Sodium 3:4-benzpyrene-3':4'-dicarboxylate
  • Sodium benzo(a)pyrene-7,8-dicarboxylic acid

Systematic Name

  • Benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 63041-33-8

System Generated Number

  • 0063041338

Molecular Formulas

Molecular Formula

  • C22-H10-O4.2Na

Molecular Formula Fragments

  • C22-H10-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C22H12O4.2Na/c23-21(24)16-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-17(14)20(16)22(25)26;;/h1-10H,(H,23,24)(H,25,26);;/q;2*+1/p-2

InChIKey

YSXWLJGNGBZMHU-UHFFFAOYSA-L

Smiles

c12c3c4ccc1c1c(c(c(C(=O)[O-])cc1)C(=O)[O-])cc2ccc3ccc4.[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 400mg/kg (400mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

VASCULAR: OTHER CHANGES
American Journal of Cancer. Vol. 36, Pg. 211, 1939.