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Substance Name: 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate
RN: 10116-07-1
InChIKey: BPVKVZRUFQGGRO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-N3-O3.H2-O

Molecular Weight

  • 275.3063
 
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Names and Synonyms

Synonyms

  • 2,3-Dimethyl-4-(N-methyl-N-carbomethoxyamino)-1-phenylpyrazol-5-one hydrate
  • 5-Oxo-N,2,3-trimethyl-3-pyrazoline-4-carbamic acid methyl ester hydrate

Systematic Name

  • 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate

Registry Numbers

CAS Registry Number

  • 10116-07-1

System Generated Number

  • 0010116071

Molecular Formulas

Molecular Formula

  • C14-H17-N3-O3.H2-O

Molecular Formula Fragments

  • C14-H17-N3-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H17N3O3/c1-10-12(15(2)14(19)20-4)13(18)17(16(10)3)11-8-6-5-7-9-11/h5-9H,1-4H3

InChIKey

BPVKVZRUFQGGRO-UHFFFAOYSA-N

Smiles

Cc1c(c(=O)n(n1C)c2ccccc2)N(C)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 902mg/kg (902mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 396, 1981.
mouse LD50 intraperitoneal 902mg/kg (902mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 396, 1981.