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Substance Name: 2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester), napsylate
RN: 72050-78-3
InChIKey: VZPXFHVJUUSVLH-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Reproductive Effect

Molecular Weight

  • 547.712
 
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Names and Synonyms

Synonyms

  • 2-Naphthalenesulfonic acid, compd. with 4-(dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate (1:1)
  • Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, propanoate (ester), 2-naphthalenesulfonate

Systematic Names

  • 2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester), napsylate
  • 2-Naphthalenesulfonic acid, compd. with 3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1)

Registry Numbers

CAS Registry Number

  • 72050-78-3

System Generated Number

  • 0072050783

Structure Descriptors

InChI

1S/C22H29NO2.C10H8O3S/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13)

InChIKey

VZPXFHVJUUSVLH-UHFFFAOYSA-N

Smiles

c1([C@@](Cc2ccccc2)([C@@H](C[NH+](C)C)C)OC(CC)=O)ccccc1.c12c(ccc(c1)S(=O)(=O)[O-])cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 28mg/kg/1W (28mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" British Medical Journal. Vol. 2, Pg. 674, 1977.