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Substance Name: 2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-(2-phenylethyl)-, 2-hydroxypropanoate
RN: 108132-36-1
InChIKey: TWQUYEFKVTWSRJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-O.C3-H6-O3

Molecular Weight

  • 357.447
 
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Names and Synonyms

Synonyms

  • 2H-1-Benzopyran-6-methylamine, 3,4-dihydro-alpha-phenethyl-, lactate
  • 3,4-Dihydro-alpha-(2-phenylethyl)-2H-1-benzopyran-6-methanamine 2-hydroxypropanoate

Systematic Name

  • 2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-(2-phenylethyl)-, 2-hydroxypropanoate

Registry Numbers

CAS Registry Number

  • 108132-36-1

System Generated Number

  • 0108132361

Molecular Formulas

Molecular Formula

  • C18-H21-N-O.C3-H6-O3

Molecular Formula Fragments

  • C18-H21-N-O
  • C3-H6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21NO.C3H6O3/c1-19(12-11-15-6-3-2-4-7-15)17-9-10-18-16(14-17)8-5-13-20-18;4-1-3(6)2-5/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3;1,3,5-6H,2H2

InChIKey

TWQUYEFKVTWSRJ-UHFFFAOYSA-N

Smiles

c12c(ccc(N(CCc3ccccc3)C)c1)OCCC2.C([C@@H](C=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 76mg/kg (76mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 98, 1987.