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Substance Name: Thiomorpholine, 4-(4-(4,5-dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)-1-oxo-4-phenylbutyl)-
RN: 111885-17-7
InChIKey: IZTSBBOZJVITSZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N-O5-S

Molecular Weight

  • 429.5343
 
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Names and Synonyms

Synonym

  • 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane

Systematic Name

  • Thiomorpholine, 4-(4-(4,5-dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)-1-oxo-4-phenylbutyl)-

Registry Numbers

CAS Registry Number

  • 111885-17-7

System Generated Number

  • 0111885177

Structure Descriptors

InChI

1S/C23H27NO5S/c1-15-19(21(27)23(29-3)22(28-2)20(15)26)17(16-7-5-4-6-8-16)9-10-18(25)24-11-13-30-14-12-24/h4-8,17H,9-14H2,1-3H3

InChIKey

IZTSBBOZJVITSZ-UHFFFAOYSA-N

Smiles

CC1=C(C(=O)C(=C(C1=O)OC)OC)C(CCC(=O)N2CCSCC2)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4774241,