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Substance Name: 1,3-Propanediol, 2-methyl-2-(2-propynyl)-
RN: 25462-41-3
InChIKey: CEIDCILOVCXUFB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H12-O2

Molecular Weight

  • 128.17
 
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Names and Synonyms

Synonym

  • 2-Methyl-2-(2-propynyl)-1,3-propanediol

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-(2-propynyl)-

Registry Numbers

CAS Registry Number

  • 25462-41-3

System Generated Number

  • 0025462413

Structure Descriptors

InChI

1S/C7H12O2/c1-3-4-7(2,5-8)6-9/h1,8-9H,4-6H2,2H3

InChIKey

CEIDCILOVCXUFB-UHFFFAOYSA-N

Smiles

C(C(CO)(CC#C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 420mg/kg (420mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.