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Substance Name: 1,3-Propanediol, 2-isopentyl-2-methyl-
RN: 25462-50-4
InChIKey: SXKIAUOJJWKUTP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H20-O2

Molecular Weight

  • 160.255
 
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Names and Synonyms

Synonyms

  • 2-Isopentyl-2-methyl-1,3-propanediol
  • BRN 1847822

Systematic Name

  • 1,3-Propanediol, 2-isopentyl-2-methyl-

Registry Numbers

CAS Registry Number

  • 25462-50-4

System Generated Number

  • 0025462504

Structure Descriptors

InChI

1S/C9H20O2/c1-8(2)4-5-9(3,6-10)7-11/h8,10-11H,4-7H2,1-3H3

InChIKey

SXKIAUOJJWKUTP-UHFFFAOYSA-N

Smiles

C(C(CO)(CCC(C)C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 280mg/kg (280mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.