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Substance Name: 2-Furancarboxylic acid, 5-nitro-, propyl ester
RN: 20001-36-9
InChIKey: KDWMOTCARFFLTQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H9-N-O5

Molecular Weight

  • 199.161
 
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Names and Synonyms

Synonyms

  • 2-Nitrofuran-5-carboxylate propyl ester
  • 5-18-06-00140 (Beilstein Handbook Reference)
  • AI3-23600
  • BRN 1378786
  • n-Propyl-5-nitro-2-furoate
  • NSC 74626

Systematic Names

  • 2-Furancarboxylic acid, 5-nitro-, propyl ester
  • 2-Furoic acid, 5-nitro-, propyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 20001-36-9

System Generated Number

  • 0020001369

Structure Descriptors

InChI

1S/C8H9NO5/c1-2-5-13-8(10)6-3-4-7(14-6)9(11)12/h3-4H,2,5H2,1H3

InChIKey

KDWMOTCARFFLTQ-UHFFFAOYSA-N

Smiles

c1(oc([N+](=O)[O-])cc1)C(OCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1200mg/kg (1200mg/kg)   Surgery, Gynecology and Obstetrics. Vol. 83, Pg. 73, 1946.
rat LD50 subcutaneous > 2gm/kg (2000mg/kg)   Surgery, Gynecology and Obstetrics. Vol. 83, Pg. 73, 1946.