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Substance Name: Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((phenylmethyl)sulfinyl)-, 3,3-dioxide
RN: 125220-08-8
InChIKey: VNNLTWNZHDGZPB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H22-O5-S2

Molecular Weight

  • 454.5648
 
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Names and Synonyms

Synonym

  • BRN 4770944

Systematic Name

  • Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((phenylmethyl)sulfinyl)-, 3,3-dioxide

Registry Numbers

CAS Registry Number

  • 125220-08-8

System Generated Number

  • 0125220088

Structure Descriptors

InChI

1S/C24H22O5S2/c1-15-13-20-21(25)17-9-5-6-10-18(17)23(26)24(20,19-11-12-31(28,29)22(15)19)30(27)14-16-7-3-2-4-8-16/h2-10,19-20H,11-14H2,1H3

InChIKey

VNNLTWNZHDGZPB-UHFFFAOYSA-N

Smiles

CC1=C2C(CCS2(=O)=O)C3(C(C1)C(=O)c4ccccc4C3=O)S(=O)Cc5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 7gm/kg (7000mg/kg)   Doklady Akademii Nauk SSSR. Proceedings of the Academy of Sciences of the USSR. For English translation, see DBIOAM and DKBSAS. Vol. 320, Pg. 242, 1991.
mammal (species unspecified) LD50 unreported 7gm/kg (7000mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(7), Pg. 27, 1990.