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Substance Name: 1,3-Propanediol, 2-ethyl-2-isopentyl-
RN: 25450-96-8
InChIKey: NUIKGQMJEKJURJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H22-O2

Molecular Weight

  • 174.282
 
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Names and Synonyms

Synonyms

  • 2-Ethyl-2-isopentyl-1,3-propanediol
  • 4-01-00-02621 (Beilstein Handbook Reference)
  • BRN 1738104

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25450-96-8

System Generated Number

  • 0025450968

Structure Descriptors

InChI

1S/C10H22O2/c1-4-10(7-11,8-12)6-5-9(2)3/h9,11-12H,4-8H2,1-3H3

InChIKey

NUIKGQMJEKJURJ-UHFFFAOYSA-N

Smiles

C(C(CO)(CCC(C)C)CC)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.