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Substance Name: 2H-1-Benzopyran, 4-(4-(3-chloropropoxy)phenyl)-3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-, trans-
RN: 123886-70-4
InChIKey: SXOACFIXVKBUQZ-IZZNHLLZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H29-Cl-O3

Molecular Weight

  • 436.9761
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 123886-70-4

System Generated Number

  • 0123886704

Structure Descriptors

InChI

1S/C27H29ClO3/c1-27(2)26(20-8-5-4-6-9-20)25(23-15-14-22(29-3)18-24(23)31-27)19-10-12-21(13-11-19)30-17-7-16-28/h4-6,8-15,18,25-26H,7,16-17H2,1-3H3/t25-,26+/m0/s1

InChIKey

SXOACFIXVKBUQZ-IZZNHLLZSA-N

Smiles

CC1([C@@H]([C@H](c2ccc(cc2O1)OC)c3ccc(cc3)OCCCCl)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.