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Substance Name: 1,2-Benzenediol, 4-(2-(dimethylamino)propyl)-, diacetate, (ester), hydrochloride, (+-)-
RN: 52370-70-4
InChIKey: OKTDUWBJVCAACZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-N-O4.Cl-H

Molecular Weight

  • 315.7948
 
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Names and Synonyms

Synonyms

  • (+-)-4-(2-(Dimethylamino)propyl)-1,2-benzenediol diacetate hydrochloride
  • (RS)-1-(3,4-Diacetoxyphenyl)-2-(dimethylamino)propane hydrochloride

Systematic Name

  • 1,2-Benzenediol, 4-(2-(dimethylamino)propyl)-, diacetate, (ester), hydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 52370-70-4

System Generated Number

  • 0052370704

Molecular Formulas

Molecular Formula

  • C15-H21-N-O4.Cl-H

Molecular Formula Fragments

  • C15-H21-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H21NO4.ClH/c1-10(16(4)5)8-13-6-7-14(19-11(2)17)15(9-13)20-12(3)18;/h6-7,9-10H,8H2,1-5H3;1H

InChIKey

OKTDUWBJVCAACZ-UHFFFAOYSA-N

Smiles

CC(Cc1ccc(c(c1)OC(=O)C)OC(=O)C)N(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 215mg/kg (215mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 427, 1974.