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Substance Name: Butanoic acid, 3-((tetrahydro-1,3-dimethyl-2,6-dioxo-5-nitroso-4(1H)-pyrimidinylidene)hydrazono)-, ethyl ester
RN: 95335-88-9
InChIKey: XRJGSLFDMSKXIW-SEWRKBRGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N5-O5

Molecular Weight

  • 311.296
 
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Names and Synonyms

  • Butanoic acid, 3-((tetrahydro-1,3-dimethyl-2,6-dioxo-5-nitroso-4(1H)-pyrimidinylidene)hydrazono)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 95335-88-9

System Generated Number

  • 0095335889

Structure Descriptors

InChI

1S/C12H17N5O5/c1-5-22-8(18)6-7(2)13-14-10-9(15-21)11(19)17(4)12(20)16(10)3/h9H,5-6H2,1-4H3/b13-7+,14-10+

InChIKey

XRJGSLFDMSKXIW-SEWRKBRGSA-N

Smiles

C1(\[C@@H](C(N(C)C(N1C)=O)=O)N=O)=N/N=C(/CC(OCC)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 694, 1985.
mouse LD50 oral 400mg/kg (400mg/kg) BEHAVIORAL: ANALGESIA Pharmaceutical Chemistry Journal Vol. 19, Pg. 694, 1985.