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Substance Name: Chloropolysporin B
RN: 105650-11-1
InChIKey: PCGBWZQZOMMXGB-UHFFFAOYSA-N

Note

  • Isolated from Faenia interjecta sp. nov.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C83-H89-Cl3-N8-O34

Molecular Weight

  • 1849.0
 
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Names and Synonyms

Name of Substance

  • Chloropolysporin B

Synonyms

  • 10,49-Dichloro-2D-O-de(3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)avoparcin alpha
  • Chloropolysporin B

Systematic Names

  • Avoparcin alpha, 10,49-dichloro-2(sup D)-O-de(3-amino-2,3,6-tridexoy-alpha-L-ribo-hexopyranosyl)-
  • Avoparcin alpha, 10,49-dichloro-2D-O-de(3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)-

Registry Numbers

CAS Registry Number

  • 105650-11-1

System Generated Number

  • 0105650111

Structure Descriptors

InChI

1S/C83H89Cl3N8O34/c1-27-61(101)42(87)24-52(119-27)126-71-32-8-14-46(40(85)18-32)122-48-20-34-21-49(73(48)128-83-70(110)67(107)64(104)51(26-96)125-83)123-47-15-9-33(19-41(47)86)72(127-82-69(109)66(106)63(103)50(25-95)124-82)60(93-74(111)54(88-3)29-4-10-36(11-5-29)121-81-68(108)65(105)62(102)28(2)120-81)78(115)90-56(31-7-13-44(99)39(84)17-31)75(112)91-57(34)77(114)89-55-30-6-12-43(98)37(16-30)53-38(22-35(97)23-45(53)100)58(80(117)118)92-79(116)59(71)94-76(55)113/h4-23,27-28,42,50-52,54-72,81-83,88,95-110H,24-26,87H2,1-3H3,(H,89,114)(H,90,115)(H,91,112)(H,92,116)(H,93,111)(H,94,113)(H,117,118)

InChIKey

PCGBWZQZOMMXGB-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H](C[C@@H]1O[C@@H]1[C@@H]2C(=O)N[C@@H](C(O)=O)c3c(c(cc(c3)O)O)c3cc(ccc3O)[C@@H](NC(=O)[C@@H]3NC([C@@H](NC([C@@H]([C@@H](c4ccc(Oc5cc3cc(c5O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@@H]3O)O)O)CO)Oc3ccc1cc3Cl)c(c4)Cl)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)NC([C@@H](c1ccc(O[C@@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)cc1)NC)=O)=O)c1cc(c(cc1)O)Cl)=O)C(N2)=O)N)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 215mg/kg (215mg/kg)   Journal of Antibiotics. Vol. 40, Pg. 946, 1987.