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Substance Name: Aristolochic acids
RN: 67123-64-2
InChIKey: FGGYSLIDOXIJNP-UHFFFAOYSA-N

Note

  • Nitro-phenanthrenes occurring in ARISTOLOCHIACEAE and other plants. They derive from stephanine (APORPHINES) by oxidative ring cleavage. The nitro group is a reactive alkylator (ALKYLATING AGENTS) that binds to biological macromolecules. Ingestion by humans is associated with nephropathy (NEPHRITIS). There is no relationship to the similar named aristolochene (SESQUITERPENES).

Molecular Formula

  • C17-H11-N-O7.1/2C16-H9-N-O6

Molecular Weight

  • 993.7959
 
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Names and Synonyms

Results Name

  • Aristolochic acids

Synonym

  • CCRIS 52

Systematic Names

  • Aristolochic acids
  • Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 6-nitro-, bis(8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylate)
  • Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-, 6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylate (2:1)

Registry Numbers

CAS Registry Number

  • 67123-64-2

System Generated Number

  • 0067123642

Molecular Formulas

Molecular Formula

  • C17-H11-N-O7.1/2C16-H9-N-O6

Molecular Formula Fragments

  • C16-H9-N-O6
  • C17-H11-N-O7
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H11NO7.C16H9NO6/c2*1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13;18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h2*2-6H,7H2,1H3,(H,19,20);1-6H,7H2,(H,18,19)

InChIKey

FGGYSLIDOXIJNP-UHFFFAOYSA-N

Smiles

O1COc2c1c1c3cccc(c3cc(c1c(c2)C(=O)O)[N+](=O)[O-])OC.O1COc2c1c1c3ccccc3cc(c1c(c2)C(=O)O)[N+](=O)[O-].O1COc2c1c1c3cccc(c3cc(c1c(c2)C(=O)O)[N+](=O)[O-])OC