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Substance Name: p-Cresol, 3-bromo-alpha-(alpha,alpha-dimethylphenethylamino)-6-methoxy-, maleate
RN: 68397-84-2
InChIKey: PRKOPWPDYXBUCX-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-Br-N-O2.C4-H4-O4

Molecular Weight

  • 480.352
 
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Names and Synonyms

Synonyms

  • 3-Bromo-alpha-(alpha,alpha-dimethylphenethylamino)-6-methoxy-p-cresol maleate
  • F 1702
  • Phenol, 2-bromo-4-(((1,1-dimethyl-2-phenylethyl)amino)methyl)-6-methoxy-, (Z)-2-butenedioate

Systematic Name

  • p-Cresol, 3-bromo-alpha-(alpha,alpha-dimethylphenethylamino)-6-methoxy-, maleate

Registry Numbers

CAS Registry Number

  • 68397-84-2

System Generated Number

  • 0068397842

Molecular Formulas

Molecular Formula

  • C18-H22-Br-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C18-H22-Br-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H22BrNO2.C4H4O4/c1-18(2,11-13-7-5-4-6-8-13)20-12-14-9-17(22-3)16(21)10-15(14)19;5-3(6)1-2-4(7)8/h4-10,20-21H,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

PRKOPWPDYXBUCX-BTJKTKAUSA-N

Smiles

c1(cc(c(cc1Br)O)OC)C[NH2+]C(Cc1ccccc1)(C)C.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 300mg/kg (300mg/kg)   Bollettino Chimico Farmaceutico. Vol. 117, Pg. 83, 1978.