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Substance Name: Carbamic acid, isobutyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)
RN: 25384-83-2
InChIKey: ZCDCPZLUPGJYAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H26-N2-O4

Molecular Weight

  • 274.358
 
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Names and Synonyms

Synonyms

  • BRN 2374591
  • Isobutylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25384-83-2

System Generated Number

  • 0025384832

Structure Descriptors

InChI

1S/C13H26N2O4/c1-5-6-13(4,8-18-11(14)16)9-19-12(17)15-7-10(2)3/h10H,5-9H2,1-4H3,(H2,14,16)(H,15,17)

InChIKey

ZCDCPZLUPGJYAF-UHFFFAOYSA-N

Smiles

C(N)(=O)OC[C@@](COC(NCC(C)C)=O)(CCC)C

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.