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Substance Name: Ditrisarubicin B
RN: 87385-19-1
InChIKey: XOWBSQHTLMJEJN-UHFFFAOYSA-N

Note

  • From Streptomyces cyaneus.

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C60-H80-N2-O22

Molecular Weight

  • 1181.28
 
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Names and Synonyms

Name of Substance

  • Ditrisarubicin B

Synonym

  • Ditrisarubicin B

Systematic Name

  • 5,12-Naphthacenedione, 7,10-bis(((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-, (7R-(7-alpha,8-beta,10-beta))-

Registry Numbers

CAS Registry Number

  • 87385-19-1

System Generated Number

  • 0087385191

Structure Descriptors

InChI

1S/C60H80N2O22/c1-12-60(70)22-39(79-53-25(4)71-40(16-30(53)61(8)9)80-42-20-35-55(27(6)73-42)83-58-37(77-35)18-33(64)23(2)75-58)45-48(52(69)46-47(51(45)68)50(67)44-29(49(46)66)14-13-15-32(44)63)57(60)82-41-17-31(62(10)11)54(26(5)72-41)81-43-21-36-56(28(7)74-43)84-59-38(78-36)19-34(65)24(3)76-59/h13-15,23-28,30-31,35-43,53-59,63,68-70H,12,16-22H2,1-11H3

InChIKey

XOWBSQHTLMJEJN-UHFFFAOYSA-N

Smiles

O1[C@@H](C[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H]3[C@@H](C2)O[C@@H]2[C@@H](O3)O[C@@H](C(C2)=O)C)C)[C@@H]1C)N(C)C)O[C@@H]1c2c(c(c3c(c2O)C(c2c(c(ccc2)O)C3=O)=O)O)[C@@H](O[C@@H]2[C@@H](O[C@@H](C[C@@H]2N(C)C)O[C@@H]2C[C@@H]3[C@@H]([C@@H](O2)C)O[C@@H]2[C@@H](O3)CC([C@@H](O2)C)=O)C)C[C@@]1(O)CC

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.