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Substance Name: 6-Ene-bactobolin
RN: 142429-33-2
InChIKey: NXFWQXSYOBNSSJ-MNRSTLFMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-Cl2-N2-O5

Molecular Weight

  • 365.2112
 
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Names and Synonyms

Results Name

  • 6-Ene-bactobolin

Synonym

  • 6-Ene-bactobolin

Systematic Name

  • Propanamide, 2-amino-N-(3-(dichloromethyl)-3,4,4a,5-tetrahydro-5,8-dihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, (3S-(3-alpha,4-alpha(R*),4a-beta,5-beta))-

Registry Numbers

CAS Registry Number

  • 142429-33-2

System Generated Number

  • 0142429332

Structure Descriptors

InChI

1S/C14H18Cl2N2O5/c1-5(17)11(21)18-10-8-6(19)3-4-7(20)9(8)12(22)23-14(10,2)13(15)16/h3-6,8,10,13,19-20H,17H2,1-2H3,(H,18,21)/t5?,6-,8+,10+,14+/m1/s1

InChIKey

NXFWQXSYOBNSSJ-MNRSTLFMSA-N

Smiles

CC(C(=O)N[C@H]1[C@H]2[C@@H](C=CC(=C2C(=O)O[C@]1(C)C(Cl)Cl)O)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.