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Substance Name: 4-Morpholinepropanol, alpha,alpha-diphenyl-beta,3,5-trimethyl-, methane sulfonate
RN: 21282-88-2
InChIKey: SQQVUVREONLTFV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N-O2.C-H4-O3-S

Molecular Weight

  • 435.582
 
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Names and Synonyms

Synonyms

  • 1,1-Diphenyl-2-methyl-3-(3,5-dimethylmorpholino)propanol methane sulfonate
  • alpha-(2-(3,5-Dimethylmorpholino)-1-methylethyl)benzhydrol methane sulfonate
  • Benzhydrol, alpha-(2-(3,5-dimethylmorpholino)-1-methylethyl)-, methane sulfonate

Systematic Name

  • 4-Morpholinepropanol, alpha,alpha-diphenyl-beta,3,5-trimethyl-, methane sulfonate

Registry Numbers

CAS Registry Number

  • 21282-88-2

System Generated Number

  • 0021282882

Molecular Formulas

Molecular Formula

  • C22-H29-N-O2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C22-H29-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H29NO2.CH4O3S/c1-17(14-23-18(2)15-25-16-19(23)3)22(24,20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-5(2,3)4/h4-13,17-19,24H,14-16H2,1-3H3;1H3,(H,2,3,4)

InChIKey

SQQVUVREONLTFV-UHFFFAOYSA-N

Smiles

C1[C@@H](C)N(C[C@@H](C(O)(c2ccccc2)c2ccccc2)C)[C@@H](C)CO1.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 422mg/kg (422mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1106, 1971.