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Substance Name: Teicoplanin aglycone
RN: 89139-42-4
InChIKey: DKVBOUDTNWVDEP-ZCVCDMNQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C58-H45-Cl2-N7-O18

Molecular Weight

  • 1198.93
 
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Names and Synonyms

Name of Substance

  • Teicoplanin aglycone

Synonyms

  • 7-Demethyl-64-O-demethyl-19-deoxy-22,31-dichlororistomycin A aglycone
  • A41030B
  • Antibiotic A 41030B
  • Antibiotic L 17392
  • TD-A3
  • Teicoplanin aglycone

Systematic Names

  • Ristomycin A aglycone, 22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-
  • Ristomycin A aglycone, 7-demethyl-64-O-demethyl-19-deoxy-22,31-dichloro-

Registry Numbers

CAS Registry Number

  • 89139-42-4

System Generated Number

  • 0089139424

Structure Descriptors

InChI

1S/C58H45Cl2N7O18/c59-32-9-21-1-7-38(32)84-41-16-26-17-42(51(41)74)85-39-8-4-24(14-33(39)60)50(73)49-57(80)66-48(58(81)82)31-19-28(69)20-37(72)43(31)30-13-23(3-5-35(30)70)45(54(77)67-49)64-56(79)47(26)65-55(78)46-25-11-27(68)18-29(12-25)83-40-15-22(2-6-36(40)71)44(61)53(76)62-34(10-21)52(75)63-46/h1-9,11-20,34,44-50,68-74H,10,61H2,(H,62,76)(H,63,75)(H,64,79)(H,65,78)(H,66,80)(H,67,77)(H,81,82)/t34-,44-,45?,46+,47-,48+,49+,50-/m1/s1

InChIKey

DKVBOUDTNWVDEP-ZCVCDMNQSA-N

Smiles

c1c(O)cc(c2c1[C@@H](C(=O)O)NC([C@H]1NC([C@@H](NC([C@H]3c4cc(Oc5ccc(cc5Cl)[C@H]1O)c(c(Oc1c(cc(cc1)C[C@@H]1C(N[C@@H](c5cc(cc(c5)Oc5c(ccc(c5)[C@H](C(N1)=O)N)O)O)C(=O)N3)=O)Cl)c4)O)=O)c1ccc(c2c1)O)=O)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 300mg/kg (300mg/kg)   European Patent Application. Vol. #90578,