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Substance Name: Aristolochic acid I methyl ester
RN: 1169-60-4
InChIKey: RZUABJWVTLHGHJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C18-H13-N-O7

Molecular Weight

  • 355.3007
 
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Names and Synonyms

Results Name

  • Aristolochic acid I methyl ester

Synonyms

  • 5-19-07-00611 (Beilstein Handbook Reference)
  • Aristolochic acid A methyl ester
  • Aristolochic acid I methyl ester
  • Aristolochic acid, methyl ester
  • BRN 0347502
  • CCRIS 2993
  • Methyl aristolochate
  • NSC 87404

Systematic Names

  • Methyl aristolochate
  • Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-, methyl ester

Registry Numbers

CAS Registry Number

  • 1169-60-4

System Generated Number

  • 0001169604

Structure Descriptors

InChI

1S/C18H13NO7/c1-23-13-5-3-4-9-10(13)6-12(19(21)22)15-11(18(20)24-2)7-14-17(16(9)15)26-8-25-14/h3-7H,8H2,1-2H3

InChIKey

RZUABJWVTLHGHJ-UHFFFAOYSA-N

Smiles

COC(=O)c1cc2OCOc2c3c4cccc(OC)c4cc(c13)[N+](=O)[O-]