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Substance Name: Allophanic acid, 3-methyl-1-pentyn-3-yl ester
RN: 77967-00-1
InChIKey: STYRAZKNETZDFP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H12-N2-O3

Molecular Weight

  • 184.194
 
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Names and Synonyms

Synonyms

  • 1-Pentyn-3-ol, 3-methyl-, allophanate
  • 3-Methyl-pentin-1-allophanat-(3)
  • 3-Methyl-pentin-1-allophanat-(3) [German]
  • 4-03-00-00134 (Beilstein Handbook Reference)
  • BRN 1781912

Systematic Name

  • Allophanic acid, 3-methyl-1-pentyn-3-yl ester

Registry Numbers

CAS Registry Number

  • 77967-00-1

System Generated Number

  • 0077967001

Structure Descriptors

InChI

1S/C8H12N2O3/c1-4-8(3,5-2)13-7(12)10-6(9)11/h1H,5H2,2-3H3,(H3,9,10,11,12)

InChIKey

STYRAZKNETZDFP-UHFFFAOYSA-N

Smiles

O([C@@](CC)(C#C)C)C(NC(N)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 875mg/kg (875mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 477, 1954.