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Substance Name: N,N-dimethylpradimicin FA-2
RN: 131426-59-0
InChIKey: UZMZCRAPEXDPLT-JYBFNPKBSA-N

Note

  • Pradimicin A derivative.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H46-N2-O19.5H2-O

Molecular Weight

  • 870.8094
 
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Names and Synonyms

Name of Substance

  • N,N-Dimethylpradimicin FA-2

Synonyms

  • N,N-Dimethylpradimicin FA-2
  • RTECS WG9366000

Systematic Names

  • D-Serine, N-((5-((4,6-dideoxy-4-(dimethylamino)-3-O-beta-D-xylopyranosyl-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)-
  • D-Serine, N-((5-((4,6-dideoxy-4-(dimethylamino)-3-O-beta-D-xylopyranosyl-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)-, pentahydrate

Registry Numbers

CAS Registry Number

  • 131426-59-0

System Generated Number

  • 0131426590

Molecular Formulas

Molecular Formula

  • C41-H46-N2-O19.5H2-O

Molecular Formula Fragments

  • C41-H46-N2-O19
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C41H46N2O19/c1-12-6-18-25(32(51)22(12)38(55)42-19(10-44)39(56)57)24-16(9-17-26(33(24)52)29(48)15-7-14(58-5)8-20(45)23(15)28(17)47)30(49)36(18)61-41-35(54)37(27(43(3)4)13(2)60-41)62-40-34(53)31(50)21(46)11-59-40/h6-9,13,19,21,27,30-31,34-37,40-41,44-46,49-54H,10-11H2,1-5H3,(H,42,55)(H,56,57)/t13-,19-,21-,27+,30+,31+,34-,35-,36+,37+,40+,41+/m1/s1

InChIKey

UZMZCRAPEXDPLT-JYBFNPKBSA-N

Smiles

Cc1cc2c(c(c1C(=O)N[C@H](CO)C(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)[C@@H]([C@H]2O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)N(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 600mg/kg (600mg/kg)   Journal of Antibiotics. Vol. 43, Pg. 1230, 1990.