Aristolochic acid

CAS Registry Number®

313-67-7
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CAS Name

Aristolochic acid

Molecular Formula

C17H11NO7

Molecular Mass

341.27

Cite this Page

Aristolochic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=313-67-7 (retrieved 2024-04-20) (CAS RN: 313-67-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    278 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)

InChIKey

InChIKey=BBFQZRXNYIEMAW-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=2C(C=3C(C1)=C(OC)C=CC3)=C4C(=CC2C(O)=O)OCO4

Canonical SMILES

O=C(O)C1=CC=2OCOC2C3=C4C=CC=C(OC)C4=CC(=C13)N(=O)=O

Other Names for this Substance

  • Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-
  • 8-Methoxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid
  • Aristolochic acid I
  • Tardolyt
  • TR 1736

Deleted or Replaced CAS Registry Numbers

12770-90-0, 61117-05-3, 1414787-57-7

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