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Substance Name: Ristomycin A aglycone, 7-demethyl-64-O-demethyl-19-deoxy-22,31,45-trichloro-
RN: 89139-41-3
InChIKey: KJTFTWQSEBLIPM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C58-H44-Cl3-N7-O18

Molecular Weight

  • 1233.3756
 
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Names and Synonyms

Synonyms

  • 7-Demethyl-64-O-demethyl-19-deoxy-22,31,45-trichlororistomycin A aglycone
  • A41030A
  • Antibiotic A 41030A
  • BRN 5489276

Systematic Name

  • Ristomycin A aglycone, 7-demethyl-64-O-demethyl-19-deoxy-22,31,45-trichloro-

Registry Numbers

CAS Registry Number

  • 89139-41-3

System Generated Number

  • 0089139413

Structure Descriptors

InChI

1S/C58H44Cl3N7O18/c59-31-7-20-1-5-37(31)85-40-15-25-16-41(51(40)75)86-38-6-3-22(12-32(38)60)49(73)48-57(81)67-47(58(82)83)29-18-27(70)19-36(72)42(29)30-11-24(13-33(61)50(30)74)45(56(80)68-48)65-55(79)46(25)66-54(78)44-23-9-26(69)17-28(10-23)84-39-14-21(2-4-35(39)71)43(62)53(77)63-34(8-20)52(76)64-44/h1-7,9-19,34,43-49,69-75H,8,62H2,(H,63,77)(H,64,76)(H,65,79)(H,66,78)(H,67,81)(H,68,80)(H,82,83)

InChIKey

KJTFTWQSEBLIPM-UHFFFAOYSA-N

Smiles

c1cc2c(cc1CC3C(=O)NC(c4cc(cc(c4)Oc5cc(ccc5O)C(C(=O)N3)N)O)C(=O)NC6c7cc(c(c(c7)Oc8ccc(cc8Cl)C(C9C(=O)NC(c1cc(cc(c1-c1cc(cc(c1O)Cl)C(C(=O)N9)NC6=O)O)O)C(=O)O)O)O)O2)Cl

Toxicity

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