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Substance Name: alpha-D-Xylofuranose, 5-C-(1,6,6a,7,7a,9,9a,10-octahydro-4-methyl-6,10-dioxothieno(3',2':5,6)anthra(2,3-b)oxiren-8a(2H)-yl)-1,2-O-(1-methylethylidene)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,7a-beta,8a-beta(S*),9a-alpha))-
RN: 138299-09-9
InChIKey: KQDKQGPUHVGXKR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H34-O12-S2

Molecular Weight

  • 674.7406
 
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Names and Synonyms

Synonym

  • BRN 5471105

Systematic Name

  • alpha-D-Xylofuranose, 5-C-(1,6,6a,7,7a,9,9a,10-octahydro-4-methyl-6,10-dioxothieno(3',2':5,6)anthra(2,3-b)oxiren-8a(2H)-yl)-1,2-O-(1-methylethylidene)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,7a-beta,8a-beta(S*),9a-alpha))-

Registry Numbers

CAS Registry Number

  • 138299-09-9

System Generated Number

  • 0138299099

Structure Descriptors

InChI

1S/C32H34O12S2/c1-14-5-7-16(8-6-14)46(38,39)44-25-26(40-30-27(25)42-31(3,4)43-30)29(35)32-13-20-18(12-21(32)41-32)23(33)19-11-15(2)28-17(22(19)24(20)34)9-10-45(28,36)37/h5-8,11,18,20-21,25-27,29-30,35H,9-10,12-13H2,1-4H3

InChIKey

KQDKQGPUHVGXKR-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)OC2C3C(OC2C(C45CC6C(CC4O5)C(=O)c7cc(c8c(c7C6=O)CCS8(=O)=O)C)O)OC(O3)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 365mg/kg (365mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 800, 1991.