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Substance Name: 4a,6-Diene-bactobolin
RN: 142429-36-5
InChIKey: DDMYCIQDOLKAAA-FHOUQSSTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-Cl2-N2-O4

Molecular Weight

  • 347.1964
 
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Names and Synonyms

Results Name

  • 4a,6-Diene-bactobolin

Synonym

  • 4a,6-Diene-bactobolin

Systematic Name

  • Propanamide, 2-amino-N-(3-(dichloromethyl)-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, (3S-(3-alpha,4-alpha(R*)))-

Registry Numbers

CAS Registry Number

  • 142429-36-5

System Generated Number

  • 0142429365

Structure Descriptors

InChI

1S/C14H16Cl2N2O4/c1-6(17)11(20)18-10-7-4-3-5-8(19)9(7)12(21)22-14(10,2)13(15)16/h3-6,10,13,19H,17H2,1-2H3,(H,18,20)/t6?,10-,14-/m0/s1

InChIKey

DDMYCIQDOLKAAA-FHOUQSSTSA-N

Smiles

CC(C(=O)N[C@H]1c2cccc(c2C(=O)O[C@]1(C)C(Cl)Cl)O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 50mg/kg (50mg/kg)   Journal of Antibiotics. Vol. 45, Pg. 735, 1992.