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Substance Name: Carbamic acid, butyl-, diester with (2-butoxy-3-methoxyphenethyl)iminodiethanol, malonate, hydrate
RN: 27585-47-3
InChIKey: XLWYLBBCCUCPDR-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H47-N3-O6.C3-H4-O4.H2-O

Molecular Weight

  • 625.755
 
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Names and Synonyms

Synonym

  • Ethanol, 2,2'-(2-butoxy-3-methoxyphenethyl)iminodi-, bis(butylcarbamate), malonate, hydrate

Systematic Name

  • Carbamic acid, butyl-, diester with (2-butoxy-3-methoxyphenethyl)iminodiethanol, malonate, hydrate

Registry Numbers

CAS Registry Number

  • 27585-47-3

System Generated Number

  • 0027585473

Molecular Formulas

Molecular Formula

  • C27-H47-N3-O6.C3-H4-O4.H2-O

Molecular Formula Fragments

  • C27-H47-N3-O6
  • C3-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H47N3O6.C4H4O4/c1-5-8-15-28-26(31)35-21-18-30(19-22-36-27(32)29-16-9-6-2)17-14-23-12-11-13-24(33-4)25(23)34-20-10-7-3;5-3(6)1-2-4(7)8/h11-13H,5-10,14-22H2,1-4H3,(H,28,31)(H,29,32);1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

XLWYLBBCCUCPDR-BTJKTKAUSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 648, 1970.