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Substance Name: 2H-1-Benzopyran, 3,4-dihydro-7-methoxy-2,2-dimethyl-4-(4-(oxiranylmethoxy)phenyl)-3-phenyl-, trans-
RN: 111038-47-2
InChIKey: IISXXZMZLSKUTJ-QMXUZLBISA-N

Molecular Formula

  • C27-H28-O4

Molecular Weight

  • 416.5142
 
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Names and Synonyms

  • 2H-1-Benzopyran, 3,4-dihydro-7-methoxy-2,2-dimethyl-4-(4-(oxiranylmethoxy)phenyl)-3-phenyl-, trans-

Registry Numbers

CAS Registry Number

  • 111038-47-2

System Generated Number

  • 0111038472

Structure Descriptors

InChI

1S/C27H28O4/c1-27(2)26(19-7-5-4-6-8-19)25(23-14-13-21(28-3)15-24(23)31-27)18-9-11-20(12-10-18)29-16-22-17-30-22/h4-15,22,25-26H,16-17H2,1-3H3/t22?,25-,26+/m0/s1

InChIKey

IISXXZMZLSKUTJ-QMXUZLBISA-N

Smiles

CC1([C@@H]([C@H](c2ccc(cc2O1)OC)c3ccc(cc3)OCC4CO4)c5ccccc5)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 51, Pg. 48, 1989.
rat LD50 oral 800mg/kg (800mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 49, Pg. 43, 1987.