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Substance Name: 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester
RN: 102043-50-5
InChIKey: TUSBMGJQQNPVBK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N-O3

Molecular Weight

  • 301.3837
 
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Names and Synonyms

Synonyms

  • 3-Methyl-1-pentyn-3-yl alpha-phenyl-4-morpholineacetate
  • 4-27-00-00349 (Beilstein Handbook Reference)
  • alpha-Phenyl-4-morpholineacetic acid, 3-methyl-1-pentyn-3-yl ester
  • BRN 0297608

Systematic Name

  • 4-Morpholineacetic acid, alpha-phenyl-, 3-methyl-1-pentyn-3-yl ester

Registry Numbers

CAS Registry Number

  • 102043-50-5

System Generated Number

  • 0102043505

Structure Descriptors

InChI

1S/C18H23NO3/c1-4-18(3,5-2)22-17(20)16(15-9-7-6-8-10-15)19-11-13-21-14-12-19/h1,6-10,16H,5,11-14H2,2-3H3

InChIKey

TUSBMGJQQNPVBK-UHFFFAOYSA-N

Smiles

CCC(C)(C#C)OC(=O)C(c1ccccc1)N2CCOCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.