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Substance Name: Phenmetrazine theoclate
RN: 13931-75-4
UNII: DEY0OXH13V
InChIKey: HBSCPBXJXNOCOA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C11-H15-N-O.C7-H7-Cl-N4-O2
  • C18-H20-Cl-N5-O3

Molecular Weight

  • 391.8568
 
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Names and Synonyms

Name of Substance

  • Phenmetrazine theoclate

Synonyms

  • 8-Chloro-7-(3-methyl-2-phenylmorpholino)theophylline
  • EINECS 237-701-8
  • Phenmetrazine 8-chlorotheophyllinate
  • Phenmetrazine teoclate
  • Phenmetrazine theoclate
  • Phenyl-methyl-morpholin-(dimethyl-chlor)-xanthinat
  • Phenyl-methyl-morpholin-(dimethyl-chlor)-xanthinat [German]
  • R 382
  • UNII-DEY0OXH13V

Systematic Names

  • Phenmetrazine teoclate
  • Theophylline, 8-chloro-7-(3-methyl-2-phenylmorpholino)-

Registry Numbers

CAS Registry Number

  • 13931-75-4

FDA UNII

  • DEY0OXH13V

System Generated Number

  • 0013931754

Molecular Formulas

Molecular Formulas

  • C11-H15-N-O.C7-H7-Cl-N4-O2
  • C18-H20-Cl-N5-O3

Molecular Formula Fragments

  • C11-H15-N-O
  • C7-H7-Cl-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C11H15NO.C7H7ClN4O2/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h2-6,9,11-12H,7-8H2,1H3;1-2H3,(H,9,10)

InChIKey

HBSCPBXJXNOCOA-UHFFFAOYSA-N

Smiles

C1(C(NCCO1)C)c1ccccc1.[nH]1c(nc2n(c(=O)n(c(=O)c12)C)C)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 subcutaneous 180mg/kg (180mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: TREMOR
Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 526, 1955.
mouse LD50 intravenous 95mg/kg (95mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: TREMOR
Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 526, 1955.
mouse LD50 oral 295mg/kg (295mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT
Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 526, 1955.
mouse LD50 subcutaneous 170mg/kg (170mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT
Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 526, 1955.
rat LD50 subcutaneous 165mg/kg (165mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: TREMOR

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 526, 1955.