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Substance Name: Carbamic acid, 2-propynyl-, 2-(hydroxymethyl)-2,4-dimethylpentyl ester, carbamate (ester)
RN: 25385-11-9
InChIKey: HXTFJGSIQKHAAU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-O4

Molecular Weight

  • 270.327
 
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Names and Synonyms

Synonyms

  • 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester)
  • BRN 3055160

Systematic Name

  • Carbamic acid, 2-propynyl-, 2-(hydroxymethyl)-2,4-dimethylpentyl ester, carbamate (ester)

Registry Numbers

CAS Registry Number

  • 25385-11-9

System Generated Number

  • 0025385119

Structure Descriptors

InChI

1S/C13H22N2O4/c1-5-6-14-12(18)19-9-13(4,7-10(2)3)8-15-11(16)17/h1,10,15H,6-9H2,2-4H3,(H,14,18)(H,16,17)

InChIKey

HXTFJGSIQKHAAU-UHFFFAOYSA-N

Smiles

C(NC[C@@](COC(NCC#C)=O)(CC(C)C)C)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 420mg/kg (420mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.