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Substance Name: Apoarantoin
RN: 19885-52-0
InChIKey: UJHGIUXXTQBPOA-RBJZZQKESA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C20-H18-N2-O6-S2

Molecular Weight

  • 446.502
 
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Names and Synonyms

Results Name

  • Apoarantoin

Synonyms

  • A-21101-IV
  • Antibiotic A 21101-IV
  • Apoarantoin
  • BRN 5414857

Systematic Name

  • 8H,15H-Epidithio-7H,14H-oxepino(3'',4'':4',5')pyrrolo(1,2':4,5)pyrazino(1,2-a)indole-7,14-dione, 5,5a,12,12a-tetrahydro-5,12-dihydroxy-, 5-acetate

Registry Numbers

CAS Registry Number

  • 19885-52-0

System Generated Number

  • 0019885520

Structure Descriptors

InChI

1S/C20H18N2O6S2/c1-10(23)28-14-5-6-27-9-12-8-20-17(25)21-15-11(3-2-4-13(15)24)7-19(21,29-30-20)18(26)22(20)16(12)14/h2-6,9,13-16,24H,7-8H2,1H3/t13-,14-,15-,16-,19?,20?/m0/s1

InChIKey

UJHGIUXXTQBPOA-RBJZZQKESA-N

Smiles

N12[C@@]3(CC4=CC=C[C@@H]([C@@H]14)O)C(N1[C@@](C2=O)(CC=2[C@H]1[C@H](C=COC2)OC(=O)C)SS3)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 168, 1980.