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Substance Name: Thiomorpholine, 4-(5-(4,5-dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)-1-oxo-5-phenylpentyl)-
RN: 111885-18-8
InChIKey: QBQJHNPSUJQGST-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-N-O5-S

Molecular Weight

  • 443.5611
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 111885-18-8

System Generated Number

  • 0111885188

Structure Descriptors

InChI

1S/C24H29NO5S/c1-16-20(22(28)24(30-3)23(29-2)21(16)27)18(17-8-5-4-6-9-17)10-7-11-19(26)25-12-14-31-15-13-25/h4-6,8-9,18H,7,10-15H2,1-3H3

InChIKey

QBQJHNPSUJQGST-UHFFFAOYSA-N

Smiles

CC1=C(C(=O)C(=C(C1=O)OC)OC)C(CCCC(=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,