Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Aureobasidin A, 3-(beta-hydroxy-N-methyl-L-phenylalanine)-
RN: 144302-34-1
InChIKey: CCOLHNQBJDUNIC-IJYBSRRDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C60-H92-N8-O12

Molecular Weight

  • 1117.4308
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3-(beta-Hydroxy-N-methyl-L-phenylalanine)aureobasidin A
  • BRN 5474688

Systematic Name

  • Aureobasidin A, 3-(beta-hydroxy-N-methyl-L-phenylalanine)-

Registry Numbers

CAS Registry Number

  • 144302-34-1

System Generated Number

  • 0144302341

Structure Descriptors

InChI

1S/C60H92N8O12/c1-17-37(9)44-56(75)64(13)45(35(5)6)52(71)61-41(32-34(3)4)55(74)67(16)50(60(11,12)79)59(78)80-49(38(10)18-2)58(77)65(14)46(36(7)8)53(72)62-42(33-39-26-21-19-22-27-39)54(73)66(15)47(48(69)40-28-23-20-24-29-40)57(76)68-31-25-30-43(68)51(70)63-44/h19-24,26-29,34-38,41-50,69,79H,17-18,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t37-,38-,41+,42+,43+,44+,45+,46+,47?,48+,49-,50-/m1/s1

InChIKey

CCOLHNQBJDUNIC-IJYBSRRDSA-N

Smiles

CC[C@@H](C)[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N(C(C(=O)N2CCC[C@H]2C(=O)N1)[C@H](c3ccccc3)O)C)Cc4ccccc4)C(C)C)C)[C@H](C)CC)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,