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Substance Name: Ammonium, (3-carbamoyl-3,3-diphenylpropyl)diisopropylmethyl-, methyl sulfate
RN: 119042-66-9
InChIKey: JTBLDBBLERCTCX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H33-N2-O.C-H3-O4-S

Molecular Weight

  • 464.623
 
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Names and Synonyms

Synonym

  • (3-Carbamoyl-3,3-diphenylpropyl)diisopropylmethylammonium methyl sulfate

Systematic Names

  • (3-Carbamoyl-3,3-diphenylpropyl)diisopropylmethylammonium methyl sulfate
  • Ammonium, (3-carbamoyl-3,3-diphenylpropyl)diisopropylmethyl-, methyl sulfate

Registry Numbers

CAS Registry Number

  • 119042-66-9

System Generated Number

  • 0119042669

Molecular Formulas

Molecular Formula

  • C23-H33-N2-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C23-H33-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C23H32N2O.CH4O4S/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;1-5-6(2,3)4/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);1H3,(H,2,3,4)

InChIKey

JTBLDBBLERCTCX-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(CC[N+](C(C)C)(C(C)C)C)C(N)=O.S(OC)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12mg/kg (12mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 103, Pg. 100, 1955.