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Substance Name: Ditrisarubicin C
RN: 87385-18-0
InChIKey: SGOOJJACKKMDRV-NCSOINJOSA-N

Note

  • From Streptomyces cyaneus.

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C60-H80-N2-O21

Molecular Weight

  • 1165.29
 
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Names and Synonyms

Name of Substance

  • Ditrisarubicin C

Synonym

  • Ditrisarubicin C

Systematic Names

  • 5,12-Naphthacenedione, 10-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-8-ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7-((2,3,6-trideoxy-4-O-((2S-(2-alpha,5-beta(2S*,6R*),6-beta))-5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-(7-alpha,8-beta,10-beta))-
  • Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)-

Registry Numbers

CAS Registry Number

  • 87385-18-0

System Generated Number

  • 0087385180

Structure Descriptors

InChI

1S/C60H80N2O21/c1-12-60(70)24-40(79-43-20-32(61(8)9)56(29(6)73-43)81-45-23-38-57(30(7)75-45)83-59-39(77-38)22-36(65)26(3)76-59)47-50(54(69)48-49(53(47)68)52(67)46-31(51(48)66)14-13-15-35(46)64)58(60)82-44-21-33(62(10)11)55(28(5)74-44)80-42-19-17-37(27(4)72-42)78-41-18-16-34(63)25(2)71-41/h13-16,18,25-30,32-33,37-45,55-59,64,68-70H,12,17,19-24H2,1-11H3/t25-,26-,27-,28-,29-,30-,32-,33-,37?,38-,39-,40-,41-,42-,43-,44-,45-,55+,56+,57+,58+,59-,60+/m0/s1

InChIKey

SGOOJJACKKMDRV-NCSOINJOSA-N

Smiles

C1[C@@H](O[C@H]([C@@H]2[C@H]1O[C@@H]1[C@H](O2)O[C@H](C(C1)=O)C)C)O[C@H]1[C@H](C[C@@H](O[C@H]1C)O[C@@H]1c2c(O)c3c(C(c4c(c(O)ccc4)C3=O)=O)c(O)c2[C@H]([C@@](C1)(O)CC)O[C@@H]1O[C@@H](C)[C@@H](O[C@H]2CC[C@@H](O[C@@H]3O[C@H](C(=O)C=C3)C)[C@@H](C)O2)[C@H](N(C)C)C1)N(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   Journal of Antibiotics. Vol. 36, Pg. 1080, 1983.