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Substance Name: Ditrisarubicin A
RN: 87399-21-1
InChIKey: YSHFQLRUHOZEFD-UHFFFAOYSA-N

Note

  • From Streptomyces cyaneus.

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C60-H82-N2-O22

Molecular Weight

  • 1183.3
 
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Names and Synonyms

Name of Substance

  • Ditrisarubicin A

Synonym

  • Ditrisarubicin A

Systematic Name

  • 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-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-(7-alpha,8-beta,10-beta))-

Registry Numbers

CAS Registry Number

  • 87399-21-1

System Generated Number

  • 0087399211

Structure Descriptors

InChI

1S/C60H82N2O22/c1-12-60(71)23-39(79-41-18-31(61(8)9)55(26(4)73-41)82-44-22-37-57(29(7)76-44)84-59-38(78-37)20-35(65)25(3)77-59)46-49(53(70)47-48(52(46)69)51(68)45-30(50(47)67)14-13-15-34(45)64)58(60)83-42-19-32(62(10)11)54(27(5)74-42)81-43-21-36(66)56(28(6)75-43)80-40-17-16-33(63)24(2)72-40/h13-15,24-29,31-32,36-44,54-59,64,66,69-71H,12,16-23H2,1-11H3

InChIKey

YSHFQLRUHOZEFD-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H](C(C1)=O)C)O[C@@H]1[C@@H](C[C@@H](O[C@@H]1C)O[C@@H]1[C@@H](O[C@@H](C[C@@H]1N(C)C)O[C@@H]1c2c(c(O)c3c(c2O)C(=O)c2c(c(O)ccc2)C3=O)[C@@H](C[C@@]1(O)CC)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)N(C)C)O[C@@H]1O[C@@H]([C@@H]2[C@@H](C1)O[C@@H]1[C@@H](O2)O[C@@H](C(C1)=O)C)C)C)C)O

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.