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Substance Name: AI 77B
RN: 77674-99-8
InChIKey: LOXFXXGTOVWWQV-YKRRISCLSA-N

Note

  • From Bacillus pumilus AI-77; has gastroprotective action.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N2-O8

Molecular Weight

  • 424.447
 
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Names and Synonyms

Name of Substance

  • AI 77B

Synonyms

  • AI-77-B
  • BRN 4338357

Systematic Name

  • Hexar-1-amic acid, 4-amino-4,5-dideoxy-N-(1-(3,4-dihydro-8-hydroxy-1-oxo- 1H-2-benzopyran-3-yl)-3-methylbutyl)-

Registry Numbers

CAS Registry Number

  • 77674-99-8

System Generated Number

  • 0077674998

Structure Descriptors

InChI

1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12-,14-,17-,18-/m0/s1

InChIKey

LOXFXXGTOVWWQV-YKRRISCLSA-N

Smiles

c1c2C[C@H](OC(c2c(cc1)O)=O)[C@@H](NC([C@H]([C@H]([C@H](CC(=O)O)N)O)O)=O)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 179mg/kg (179mg/kg)   Journal of Medicinal Chemistry. Vol. 26, Pg. 1370, 1983.
mouse LD50 oral 800mg/kg (800mg/kg)   Agricultural and Biological Chemistry. Vol. 46, Pg. 1823, 1982.