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Substance Name: Aureobasidin B
RN: 127939-17-7
InChIKey: YIJMITSCVGVDJX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C59-H90-N8-O11

Molecular Weight

  • 1087.405
 
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Names and Synonyms

Results Name

  • Aureobasidin B

Synonyms

  • (R)-1-(N-(2-Hydroxy-3-methyl-1-oxobutyl)-N-methyl-L-valine)aureobasidin A
  • Antibiotic R 106IIa
  • Aureobasidin B

Systematic Name

  • Aureobasidin A, 1-(N-(2-hydroxy-3-methyl-1-oxobutyl)-N-methyl-L-valine)-, (R)-

Registry Numbers

CAS Registry Number

  • 127939-17-7

System Generated Number

  • 0127939177

Structure Descriptors

InChI

1S/C59H90N8O11/c1-34(2)30-41-54(72)64(14)46(36(5)6)51(69)61-42(31-35(3)4)55(73)66(16)49(59(11,12)77)58(76)78-48(38(9)10)57(75)65(15)47(37(7)8)52(70)62-43(32-39-24-19-17-20-25-39)53(71)63(13)45(33-40-26-21-18-22-27-40)56(74)67-29-23-28-44(67)50(68)60-41/h17-22,24-27,34-38,41-49,77H,23,28-33H2,1-16H3,(H,60,68)(H,61,69)(H,62,70)

InChIKey

YIJMITSCVGVDJX-UHFFFAOYSA-N

Smiles

CC(C)CC1C(=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)C)C(C)(C)O)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,