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Substance Name: 1,3-Propanediol, 2-isopentyl-
RN: 25462-27-5
InChIKey: VWQPAMYYOLDISD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H18-O2

Molecular Weight

  • 146.228
 
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Names and Synonyms

Synonyms

  • 2-Isopentyl-1,3-propanediol
  • BRN 1847381

Systematic Name

  • 1,3-Propanediol, 2-isopentyl-

Registry Numbers

CAS Registry Number

  • 25462-27-5

System Generated Number

  • 0025462275

Structure Descriptors

InChI

1S/C8H18O2/c1-7(2)3-4-8(5-9)6-10/h7-10H,3-6H2,1-2H3

InChIKey

VWQPAMYYOLDISD-UHFFFAOYSA-N

Smiles

C(C(CO)CCC(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.