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Substance Name: Acetylaranotin
RN: 20485-01-2
InChIKey: OHTZNUUGYPDWEB-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C22-H20-N2-O8-S2

Molecular Weight

  • 504.538
 
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Names and Synonyms

Name of Substance

  • Acetylaranotin

Synonyms

  • Acetylaranotin
  • Antibiotic LL-S-88-A
  • BRN 0600565
  • LL-S-88-A

Systematic Name

  • 8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino(3',4':4,5)-pyrrolo(1,2-a:1',2'-d)pyrazine-7,15-dione, 5,5a,13,13a-tetrahydro-5,13-dihydroxy-, diacetate (ester)

Registry Numbers

CAS Registry Number

  • 20485-01-2

System Generated Number

  • 0020485012

Structure Descriptors

InChI

1S/C22H20N2O8S2/c1-11(25)31-15-3-5-29-9-13-7-21-20(28)24-18-14(10-30-6-4-16(18)32-12(2)26)8-22(24,34-33-21)19(27)23(21)17(13)15/h3-6,9-10,15-18H,7-8H2,1-2H3

InChIKey

OHTZNUUGYPDWEB-UHFFFAOYSA-N

Smiles

O1C=C2[C@@H](N3C([C@@]45CC=6[C@@H](N5C([C@@]3(C2)SS4)=O)[C@@H](OC(C)=O)C=COC6)=O)[C@@H](OC(C)=O)C=C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 168, 1980.