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Substance Name: Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate
RN: 101491-80-9
InChIKey: UUNGVBJYQXXEQP-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-N2-O-S.C4-H4-O4

Molecular Weight

  • 416.496
 
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Names and Synonyms

Synonym

  • Diphenylthiocarbamic acid S-(2-(dimethylamino)ethyl) ester maleate

Systematic Name

  • Carbamic acid, diphenylthio-, S-(2-(dimethylamino)ethyl) ester, maleate

Registry Numbers

CAS Registry Number

  • 101491-80-9

System Generated Number

  • 0101491809

Molecular Formulas

Molecular Formula

  • C17-H20-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C17-H20-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H20N2OS.C4H4O4/c1-18(2)13-14-21-17(20)19(15-9-5-3-6-10-15)16-11-7-4-8-12-16;5-3(6)1-2-4(7)8/h3-12H,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

UUNGVBJYQXXEQP-BTJKTKAUSA-N

Smiles

N(c1ccccc1)(c1ccccc1)C(SCC[NH+](C)C)=O.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 70mg/kg (70mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Archives Internationales de Pharmacodynamie et de Therapie. Vol. 151, Pg. 515, 1964.