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Substance Name: 6-Deoxy-6-beta-imidazoylbactobolin
RN: 142429-38-7
InChIKey: SZVTUZYKMOLRGP-NBWDPFOMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-Cl2-N4-O5

Molecular Weight

  • 433.2898
 
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Names and Synonyms

Results Name

  • 6-Deoxy-6-beta-imidazoylbactobolin

Synonym

  • 6-Deoxy-6-beta-imidazoylbactobolin

Systematic Name

  • Propanamide, 2-amino-N-(3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,8-dihydroxy-6-(1H-imidazol-1-yl)-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, (3S-(3-alpha,4-alpha(R*),4a-beta,5-beta,6-beta))-

Registry Numbers

CAS Registry Number

  • 142429-38-7

System Generated Number

  • 0142429387

Structure Descriptors

InChI

1S/C17H22Cl2N4O5/c1-7(20)14(26)22-13-11-10(15(27)28-17(13,2)16(18)19)9(24)5-8(12(11)25)23-4-3-21-6-23/h3-4,6-8,11-13,16,24-25H,5,20H2,1-2H3,(H,22,26)/t7?,8-,11+,12+,13-,17-/m0/s1

InChIKey

SZVTUZYKMOLRGP-NBWDPFOMSA-N

Smiles

CC(C(=O)N[C@H]1[C@H]2[C@@H]([C@H](CC(=C2C(=O)O[C@]1(C)C(Cl)Cl)O)n3ccnc3)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.