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Substance Name: Xylopropamine sulfate
RN: 14543-76-1
UNII: B464QNG39U
InChIKey: JUEMAIYCXHJGDQ-UHFFFAOYSA-N

Classification Code

  • Human Data

Molecular Formula

  • C11-H17-N.1/2H2-O4-S

Molecular Weight

  • 424.602
 
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Names and Synonyms

Results Name

  • Xylopropamine sulfate

Name of Substance

  • Xylopropamine sulfate

Synonyms

  • 3,4-Dimethylphenisopropylamine sulfate
  • EINECS 238-579-9
  • UNII-B464QNG39U
  • Xylopropamine sulfate

Systematic Names

  • Benzeneethanamine, alpha,3,4-trimethyl-, sulfate (2:1) (9CI)
  • Bis(alpha,3,4-trimethylphenethylammonium) sulphate
  • Phenethylamine, alpha,3,4-trimethyl-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 14543-76-1

FDA UNII

  • B464QNG39U

System Generated Number

  • 0014543761

Molecular Formulas

Molecular Formula

  • C11-H17-N.1/2H2-O4-S

Molecular Formula Fragments

  • C11-H17-N
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C11H17N.H2O4S/c2*1-8-4-5-11(6-9(8)2)7-10(3)12;1-5(2,3)4/h2*4-6,10H,7,12H2,1-3H3;(H2,1,2,3,4)

InChIKey

JUEMAIYCXHJGDQ-UHFFFAOYSA-N

Smiles

c1(cc(c(C)cc1)C)C[C@@H](C)N.OS(=O)(=O)O.c1(cc(c(C)cc1)C)C[C@@H](C)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 1500ug/kg (1.5mg/kg) BEHAVIORAL: ANOREXIA (HUMAN

GASTROINTESTINAL: NAUSEA OR VOMITING

SKIN AND APPENDAGES (SKIN): SWEATING: OTHER
Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 298, 1950.
mouse LD50 intraperitoneal 83mg/kg (83mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Journal of Pharmacology and Experimental Therapeutics. Vol. 100, Pg. 298, 1950.