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Substance Name: 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-
RN: 127311-84-6
InChIKey: JYRAGSXFSDKNJV-XCVPVQRUSA-N

Molecular Formula

  • C10-H12-O3-S

Molecular Weight

  • 212.2678
 
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Names and Synonyms

  • 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-

Registry Numbers

CAS Registry Number

  • 127311-84-6

System Generated Number

  • 0127311846

Structure Descriptors

InChI

1S/C10H12O3S/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-

InChIKey

JYRAGSXFSDKNJV-XCVPVQRUSA-N

Smiles

C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)SC2=O)C)O3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500ug/kg (1.5mg/kg)   Chemical Research in Toxicology. Vol. 3, Pg. 318, 1990.