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Substance Name: 1,7-Dioxadispiro(4.0.4.2)dodeca-2,8-diene-11,12-dicarboxylic acid, 2,8-bis(4-methylphenyl)-3,9-dibromo-4,10-dioxo-, dimethyl ester, (5-alpha,6-alpha,11-alpha,12-alpha)-
RN: 142273-66-3
InChIKey: XKCFLLMJRCIAHP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H22-Br2-O8

Molecular Weight

  • 646.2818
 
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Names and Synonyms

Synonym

  • BRN 5841981

Systematic Name

  • 1,7-Dioxadispiro(4.0.4.2)dodeca-2,8-diene-11,12-dicarboxylic acid, 2,8-bis(4-methylphenyl)-3,9-dibromo-4,10-dioxo-, dimethyl ester, (5-alpha,6-alpha,11-alpha,12-alpha)-

Registry Numbers

CAS Registry Number

  • 142273-66-3

System Generated Number

  • 0142273663

Structure Descriptors

InChI

1S/C28H22Br2O8/c1-13-5-9-15(10-6-13)21-19(29)23(31)27(37-21)17(25(33)35-3)18(26(34)36-4)28(27)24(32)20(30)22(38-28)16-11-7-14(2)8-12-16/h5-12,17-18H,1-4H3

InChIKey

XKCFLLMJRCIAHP-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)C2=C(C(=O)C3(O2)C(C(C34C(=O)C(=C(O4)c5ccc(cc5)C)Br)C(=O)OC)C(=O)OC)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 708mg/kg (708mg/kg)   Pharmaceutical Chemistry Journal Vol. 26, Pg. 142, 1992.