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Substance Name: 2H-1-Benzopyran, 4-(4-(2-bromoethoxy)phenyl)-3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-, trans-
RN: 123886-68-0
InChIKey: RAXILLWCRCHLGT-LOSJGSFVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H27-Br-O3

Molecular Weight

  • 467.4003
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 123886-68-0

System Generated Number

  • 0123886680

Structure Descriptors

InChI

1S/C26H27BrO3/c1-26(2)25(19-7-5-4-6-8-19)24(18-9-11-20(12-10-18)29-16-15-27)22-14-13-21(28-3)17-23(22)30-26/h4-14,17,24-25H,15-16H2,1-3H3/t24-,25+/m0/s1

InChIKey

RAXILLWCRCHLGT-LOSJGSFVSA-N

Smiles

CC1([C@@H]([C@H](c2ccc(cc2O1)OC)c3ccc(cc3)OCCBr)c4ccccc4)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 51, Pg. 48, 1989.
rat LD50 oral 500mg/kg (500mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 51, Pg. 48, 1989.