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Substance Name: Aureobasidin A, 8-(N-methyl-L-valine)-
RN: 127757-31-7
InChIKey: AWEWXWTYLIFPQT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C60-H92-N8-O10

Molecular Weight

  • 1085.4328
 
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Names and Synonyms

Synonyms

  • 8-(N-Methyl-L-valine)aureobasidin A
  • Antibiotic R 106VI
  • Aureobasidin G

Systematic Name

  • Aureobasidin A, 8-(N-methyl-L-valine)-

Registry Numbers

CAS Registry Number

  • 127757-31-7

System Generated Number

  • 0127757317

Structure Descriptors

InChI

1S/C60H92N8O10/c1-17-39(11)47-58(75)65(14)48(36(5)6)53(70)61-43(32-35(3)4)56(73)67(16)50(38(9)10)60(77)78-51(40(12)18-2)59(76)66(15)49(37(7)8)54(71)62-44(33-41-26-21-19-22-27-41)55(72)64(13)46(34-42-28-23-20-24-29-42)57(74)68-31-25-30-45(68)52(69)63-47/h19-24,26-29,35-40,43-51H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)

InChIKey

AWEWXWTYLIFPQT-UHFFFAOYSA-N

Smiles

CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)Cc3ccccc3)C)Cc4ccccc4)C(C)C)C)C(C)CC)C(C)C)C)CC(C)C)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,