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Substance Name: p-Cresol, 3-bromo-5-methoxy-alpha-(alpha-methylphenethylamino)-, maleate
RN: 68397-86-4
InChIKey: ZRPLALBZJSWFDR-BTJKTKAUSA-N

Molecular Formula

  • C17-H20-Br-N-O2.C4-H4-O4

Molecular Weight

  • 466.326
 
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Names and Synonyms

Synonyms

  • 3-Bromo-5-methoxy-alpha-(alpha-methoxyphenethylamino)-p-cresol maleate
  • F 1701
  • Phenol, 2-bromo-6-methoxy-4-(((1-methyl-2-phenylethyl)amino)methyl)-, (Z)-2-butenedioate

Systematic Name

  • p-Cresol, 3-bromo-5-methoxy-alpha-(alpha-methylphenethylamino)-, maleate

Registry Numbers

CAS Registry Number

  • 68397-86-4

System Generated Number

  • 0068397864

Molecular Formulas

Molecular Formula

  • C17-H20-Br-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C17-H20-Br-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H20BrNO2.C4H4O4/c1-12(8-13-6-4-3-5-7-13)19-11-15-16(18)9-14(20)10-17(15)21-2;5-3(6)1-2-4(7)8/h3-7,9-10,12,19-20H,8,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

ZRPLALBZJSWFDR-BTJKTKAUSA-N

Smiles

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