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Substance Name: 1,3-Propanediol, 2-allyl-2-methyl-
RN: 25462-37-7
InChIKey: JJXSMZLINUIUFX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.186
 
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Names and Synonyms

Synonyms

  • 2-Allyl-2-methyl-1,3-propanediol
  • BRN 1902883

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25462-37-7

System Generated Number

  • 0025462377

Structure Descriptors

InChI

1S/C7H14O2/c1-3-4-7(2,5-8)6-9/h3,8-9H,1,4-6H2,2H3

InChIKey

JJXSMZLINUIUFX-UHFFFAOYSA-N

Smiles

C(C(CO)(CC=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.