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Substance Name: Carbamic acid, isopentyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)
RN: 25384-88-7
InChIKey: QVGQWKMIRWZMAD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H28-N2-O4

Molecular Weight

  • 288.385
 
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Names and Synonyms

Synonym

  • Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25384-88-7

System Generated Number

  • 0025384887

Structure Descriptors

InChI

1S/C14H28N2O4/c1-5-7-14(4,9-16-12(17)18)10-20-13(19)15-8-6-11(2)3/h11,16H,5-10H2,1-4H3,(H,15,19)(H,17,18)

InChIKey

QVGQWKMIRWZMAD-UHFFFAOYSA-N

Smiles

C(NC[C@@](COC(NCCC(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.