Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Anthra(2,1-b)thiophene-6,11-dione, 1,2,6a,7,10,10a-hexahydro-9-(1-hydroxyethyl)-4-methyl-, 3,3-dioxide, (6a-alpha,9(S*),10a-alpha)-(+-)-
RN: 138333-16-1
InChIKey: COABQUJKOBPJCZ-VHRBIJSZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-O5-S

Molecular Weight

  • 360.428
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Anthra(2,1-b)thiophene-6,11-dione, 1,2,6a,7,10,10a-hexahydro-9-(1-hydroxyethyl)-4-methyl-, 3,3-dioxide, (6a-alpha,9(S*),10a-alpha)-(+-)-

Registry Numbers

CAS Registry Number

  • 138333-16-1

System Generated Number

  • 0138333161

Structure Descriptors

InChI

1S/C19H20O5S/c1-9-7-15-16(13-5-6-25(23,24)19(9)13)18(22)14-8-11(10(2)20)3-4-12(14)17(15)21/h3,7,10,12,14,20H,4-6,8H2,1-2H3/t10-,12-,14+/m0/s1

InChIKey

COABQUJKOBPJCZ-VHRBIJSZSA-N

Smiles

Cc1cc2c(c3c1S(=O)(=O)CC3)C(=O)[C@@H]4CC(=CC[C@@H]4C2=O)[C@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 443mg/kg (443mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 800, 1991.