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Substance Name: Carbamic acid, 2-butenyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)
RN: 25384-84-3
InChIKey: ONKSYNDVJFTYGI-GQCTYLIASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H24-N2-O4

Molecular Weight

  • 272.343
 
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Names and Synonyms

Synonyms

  • 2-Butenylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)
  • BRN 3055690

Systematic Name

  • Carbamic acid, 2-butenyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)

Registry Numbers

CAS Registry Number

  • 25384-84-3

System Generated Number

  • 0025384843

Structure Descriptors

InChI

1S/C13H24N2O4/c1-4-6-8-14-12(18)19-10-13(3,7-5-2)9-15-11(16)17/h4,6,15H,5,7-10H2,1-3H3,(H,14,18)(H,16,17)/b6-4+

InChIKey

ONKSYNDVJFTYGI-GQCTYLIASA-N

Smiles

C(NC[C@@](COC(NC\C=C\C)=O)(CCC)C)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 940mg/kg (940mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.