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Substance Name: 11-O-xylosylpradimicin H
RN: 152632-91-2
InChIKey: BATPVMGEAVJULR-UHFFFAOYSA-N

Note

  • From Actinomadura verrucosospora.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H50-N2-O22

Molecular Weight

  • 958.871
 
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Names and Synonyms

Name of Substance

  • 11-O-xylosylpradimicin H

Synonym

  • 11-O-L-Xylosylpradimicin H

Systematic Name

  • D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-(beta-L-xylopyranosyloxy)benzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 152632-91-2

System Generated Number

  • 0152632912

Structure Descriptors

InChI

InChI=1S/C44H50N2O22/c1-11-5-18-25(33(55)22(11)40(60)46-12(2)41(61)62)24-16(30(52)38(18)67-44-37(59)39(27(45-4)13(3)65-44)68-43-36(58)32(54)21(49)10-64-43)8-17-26(34(24)56)29(51)15-6-14(7-19(47)23(15)28(17)50)66-42-35(57)31(53)20(48)9-63-42/h5-8,12-13,20-21,27,30-32,35-39,42-45,47-49,52-59H,9-10H2,1-4H3,(H,46,60)(H,61,62)

InChIKey

BATPVMGEAVJULR-UHFFFAOYSA-N

Smiles

CNC1C(C)OC(OC2C(O)c3cc4C(=O)c5c(O)cc(OC6OCC(O)C(O)C6O)cc5C(=O)c4c(O)c3c7c(O)c(C(=O)NC(C)C(=O)O)c(C)cc27)C(O)C1OC8OCC(O)C(O)C8O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 300mg/kg (300mg/kg)   Journal of Antibiotics. Vol. 46, Pg. 1589, 1993.