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Substance Name: Acetic acid, (4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-, trans-
RN: 111070-43-0
InChIKey: FTKGSEONVGEHHO-LOSJGSFVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H26-O5

Molecular Weight

  • 418.4864
 
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Names and Synonyms

  • Acetic acid, (4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-, trans-

Registry Numbers

CAS Registry Number

  • 111070-43-0

System Generated Number

  • 0111070430

Structure Descriptors

InChI

1S/C26H26O5/c1-26(2)25(18-7-5-4-6-8-18)24(21-14-13-20(29-3)15-22(21)31-26)17-9-11-19(12-10-17)30-16-23(27)28/h4-15,24-25H,16H2,1-3H3,(H,27,28)/t24-,25+/m0/s1

InChIKey

FTKGSEONVGEHHO-LOSJGSFVSA-N

Smiles

CC1([C@@H]([C@H](c2ccc(cc2O1)OC)c3ccc(cc3)OCC(=O)O)c4ccccc4)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 49, Pg. 43, 1987.