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Substance Name: 2-Butanol, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (salt) (1:1)
RN: 106063-84-7
InChIKey: DLUOBWZYGJPLRA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H31-N-O3.C6-H8-O7

Molecular Weight

  • 549.613
 
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Names and Synonyms

Synonym

  • 3-(2-(2-(Diethylamino)ethoxy)phenoxy)-4-phenylbutan-2-ol citrate

Systematic Name

  • 2-Butanol, 3-(2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-, citrate (salt) (1:1)

Registry Numbers

CAS Registry Number

  • 106063-84-7

System Generated Number

  • 0106063847

Molecular Formulas

Molecular Formula

  • C22-H31-N-O3.C6-H8-O7

Molecular Formula Fragments

  • C22-H31-N-O3
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C22H31NO3.C6H8O7/c1-4-23(5-2)15-16-25-20-13-9-10-14-21(20)26-22(18(3)24)17-19-11-7-6-8-12-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-14,18,22,24H,4-5,15-17H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

DLUOBWZYGJPLRA-UHFFFAOYSA-N

Smiles

c1(c(OCC[NH+](CC)CC)cccc1)O[C@@H](Cc1ccccc1)[C@@H](C)O.C([C@@](CC(=O)[O-])(C(O)=O)O)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 85mg/kg (85mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.