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Substance Name: Propionamide, N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)-, D-threo-
RN: 35098-52-3
InChIKey: LJMULVALRTTYIT-ZYHUDNBSSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C12-H16-N2-O5

Molecular Weight

  • 268.267
 
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Names and Synonyms

Synonyms

  • BU 2000
  • D-threo-1-p-Nitrophenyl-2-propionamido-1,3-propanediol

Systematic Name

  • Propionamide, N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)-, D-threo-

Registry Numbers

CAS Registry Number

  • 35098-52-3

System Generated Number

  • 0035098523

Structure Descriptors

InChI

1S/C12H16N2O5/c1-2-11(16)13-10(7-15)12(17)8-3-5-9(6-4-8)14(18)19/h3-6,10,12,15,17H,2,7H2,1H3,(H,13,16)/t10-,12-/m1/s1

InChIKey

LJMULVALRTTYIT-ZYHUDNBSSA-N

Smiles

C(CC)(=O)N[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2gm/kg (2000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 6, Pg. 241, 1981.