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Substance Name: o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate
RN: 68397-92-2
InChIKey: OOHHNJAEGUCENQ-BTJKTKAUSA-N

Molecular Formula

  • C17-H21-N-O2.C4-H4-O4

Molecular Weight

  • 387.43
 
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Names and Synonyms

Synonyms

  • 6-Methoxy-alpha-(alpha-methylphenethylamino)-o-cresol maleate
  • F 1672
  • Phenol, 2-methoxy-6-(((1-methyl-2-phenylethyl)amino)methyl)-, (Z)-2-butenedioate (1:1)

Systematic Name

  • o-Cresol, 6-methoxy-alpha-(alpha-methylphenethylamino)-, maleate

Registry Numbers

CAS Registry Number

  • 68397-92-2

System Generated Number

  • 0068397922

Molecular Formulas

Molecular Formula

  • C17-H21-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C17-H21-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21NO2.C4H4O4/c1-13(11-14-7-4-3-5-8-14)18-12-15-9-6-10-16(20-2)17(15)19;5-3(6)1-2-4(7)8/h3-10,13,18-19H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

OOHHNJAEGUCENQ-BTJKTKAUSA-N

Smiles

c1(c(c(ccc1)OC)O)C[NH2+][C@@H](C)Cc1ccccc1.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.