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Substance Name: Primocarcin
RN: 3750-26-3
UNII: DD0O1I61Y2
InChIKey: DVMKENULKFKEFR-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C8-H12-N2-O3

Molecular Weight

  • 184.194
 
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Names and Synonyms

Name of Substance

  • Primocarcin

Synonyms

  • 4-Acetamido-4-penten-3-one-1-carboxamide
  • 5-(Acetylamino)-4-oxo-5-hexenamide
  • BRN 2415620
  • NSC 525602
  • Primocarcin
  • UNII-DD0O1I61Y2

Systematic Names

  • 5-Hexenamide, 5-(acetylamino)-4-oxo- (9CI)
  • 5-Hexenamide, 5-acetamido-4-oxo-

Registry Numbers

CAS Registry Number

  • 3750-26-3

FDA UNII

  • DD0O1I61Y2

System Generated Number

  • 0003750263

Structure Descriptors

InChI

1S/C8H12N2O3/c1-5(10-6(2)11)7(12)3-4-8(9)13/h1,3-4H2,2H3,(H2,9,13)(H,10,11)

InChIKey

DVMKENULKFKEFR-UHFFFAOYSA-N

Smiles

C(C(CCC(N)=O)=O)(NC(C)=O)=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 55500ug/kg (55.5mg/kg)   Journal of Antibiotics, Series A. Vol. 15, Pg. 250, 1962.
mouse LD50 intravenous 300mg/kg (300mg/kg)   Journal of Antibiotics, Series A. Vol. 15, Pg. 77, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 130.5 deg C   EXP
log P (octanol-water) -1.810 (none)   EST
Atmospheric OH Rate Constant 4.08E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.