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Substance Name: 1-Pentyne, 3-methoxy-3-methyl-
RN: 22802-35-3
InChIKey: ADNAPRCXSGMYRO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H12-O

Molecular Weight

  • 112.171
 
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Names and Synonyms

Synonyms

  • 3-Methoxy-3-methyl-1-pentyne
  • 4-01-00-02243 (Beilstein Handbook Reference)
  • BRN 1699640

Systematic Name

  • 1-Pentyne, 3-methoxy-3-methyl-

Registry Numbers

CAS Registry Number

  • 22802-35-3

System Generated Number

  • 0022802353

Structure Descriptors

InChI

1S/C7H12O/c1-5-7(3,6-2)8-4/h1H,6H2,2-4H3

InChIKey

ADNAPRCXSGMYRO-UHFFFAOYSA-N

Smiles

C([C@@](C#C)(OC)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2300mg/kg (2300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.