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Substance Name: Carbamic acid, ethyl-, diester with (2,3-dimethoxyphenethyl)iminodiethanol, maleate
RN: 27806-00-4
InChIKey: ZQBJLFFTRQTEOF-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H33-N3-O6.C4-H4-O4

Molecular Weight

  • 527.567
 
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Names and Synonyms

Synonym

  • Ethanol, 2,2'-(2,3-dimethoxyphenethyl)iminodi-, bis(ethylcarbamate), maleate

Systematic Name

  • Carbamic acid, ethyl-, diester with (2,3-dimethoxyphenethyl)iminodiethanol, maleate

Registry Numbers

CAS Registry Number

  • 27806-00-4

System Generated Number

  • 0027806004

Molecular Formulas

Molecular Formula

  • C20-H33-N3-O6.C4-H4-O4

Molecular Formula Fragments

  • C20-H33-N3-O6
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H33N3O6.C4H4O4/c1-5-21-19(24)28-14-12-23(13-15-29-20(25)22-6-2)11-10-16-8-7-9-17(26-3)18(16)27-4;5-3(6)1-2-4(7)8/h7-9H,5-6,10-15H2,1-4H3,(H,21,24)(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

ZQBJLFFTRQTEOF-BTJKTKAUSA-N

Smiles

c1(c(CC[NH+](CCOC(NCC)=O)CCOC(NCC)=O)cccc1OC)OC.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 648, 1970.