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Substance Name: Dexylosylbenanomicin A
RN: 133806-62-9
InChIKey: PRUXMUKWYBVNMB-JAULALIESA-N

Note

  • From Actinomadura sp. MH193-16F4.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H33-N-O15

Molecular Weight

  • 695.627
 
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Names and Synonyms

Name of Substance

  • Dexylosylbenanomicin A

Synonym

  • Dexylosylbenanomicin A

Systematic Name

  • D-Alanine, N-((5-((6-deoxy-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 133806-62-9

System Generated Number

  • 0133806629

Structure Descriptors

InChI

1S/C34H33NO15/c1-9-5-16-21(27(41)18(9)32(45)35-10(2)33(46)47)20-14(26(40)31(16)50-34-30(44)29(43)23(37)11(3)49-34)8-15-22(28(20)42)25(39)13-6-12(48-4)7-17(36)19(13)24(15)38/h5-8,10-11,23,26,29-31,34,36-37,40-44H,1-4H3,(H,35,45)(H,46,47)/t10-,11-,23+,26+,29+,30-,31+,34+/m1/s1

InChIKey

PRUXMUKWYBVNMB-JAULALIESA-N

Smiles

c12c(C(=O)c3c(C1=O)cc(OC)cc3O)cc1c(c3c(cc(c(c3O)C(N[C@@H](C(=O)O)C)=O)C)[C@@H]([C@H]1O)O[C@H]1[C@@H]([C@@H](O)[C@H]([C@H](O1)C)O)O)c2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 300mg/kg (300mg/kg)   Journal of Antibiotics. Vol. 44, Pg. 1228, 1991.