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Substance Name: Aureobasidin A, 5-L-leucine-
RN: 127785-69-7
InChIKey: TXPKSEBYLYJCPU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C60-H92-N8-O11

Molecular Weight

  • 1101.4318
 
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Names and Synonyms

Synonyms

  • 5-L-Leucineaureobasidin A
  • Antibiotic R 106VIII
  • Aureobasidin I

Systematic Name

  • Aureobasidin A, 5-L-leucine-

Registry Numbers

CAS Registry Number

  • 127785-69-7

System Generated Number

  • 0127785697

Structure Descriptors

InChI

1S/C60H92N8O11/c1-17-39(10)49-58(76)66(15)48(38(8)9)53(71)63-44(33-40-25-20-18-21-26-40)54(72)64(13)46(34-41-27-22-19-23-28-41)57(75)68-30-24-29-45(68)51(69)61-42(31-35(2)3)55(73)65(14)47(37(6)7)52(70)62-43(32-36(4)5)56(74)67(16)50(59(77)79-49)60(11,12)78/h18-23,25-28,35-39,42-50,78H,17,24,29-34H2,1-16H3,(H,61,69)(H,62,70)(H,63,71)

InChIKey

TXPKSEBYLYJCPU-UHFFFAOYSA-N

Smiles

CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C(C)(C)O)C)CC(C)C)C(C)C)C)CC(C)C)Cc3ccccc3)C)Cc4ccccc4)C(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 200mg/kg (200mg/kg)   United States Patent Document. Vol. #5158876,
mouse LD50 intravenous > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5158876,
mouse LD50 oral > 200mg/kg (200mg/kg)   United States Patent Document. Vol. #5158876,