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Substance Name: 1,3-Propanediol, 2-tert-butyl-
RN: 2819-05-8
InChIKey: LQPVVSDKTCYYBZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H16-O2

Molecular Weight

  • 132.201
 
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Names and Synonyms

Synonyms

  • 2-tert-Butyl-1,3-propanediol
  • BRN 1900687

Systematic Name

  • 1,3-Propanediol, 2-tert-butyl-

Registry Numbers

CAS Registry Number

  • 2819-05-8

System Generated Number

  • 0002819058

Structure Descriptors

InChI

1S/C7H16O2/c1-7(2,3)6(4-8)5-9/h6,8-9H,4-5H2,1-3H3

InChIKey

LQPVVSDKTCYYBZ-UHFFFAOYSA-N

Smiles

C(C(CO)CO)(C)(C)C

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.