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Substance Name: Serirubicin
RN: 94593-72-3
InChIKey: VDYRODQNFIGGDP-UHFFFAOYSA-N

Note

  • Isolated from Streptomyces cyaneus.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C60-H80-N2-O21

Molecular Weight

  • 1165.29
 
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Names and Synonyms

Name of Substance

  • Serirubicin

Synonyms

  • Antibiotic TMF 518C
  • Cosmocarcin A
  • Serirubicin

Systematic Name

  • Cytorhodin A, 4(sup C),4(sup F),6-trideoxy-2(sup C),3(sup B):2(sup F),3(sup F)-diepoxy-4(sup C),4(sup F)-dioxo-, (2(sup C)S,2(sup F)S,3(sup B)S,3(sup E)S)-

Registry Numbers

CAS Registry Number

  • 94593-72-3

System Generated Number

  • 0094593723

Structure Descriptors

InChI

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

InChIKey

VDYRODQNFIGGDP-UHFFFAOYSA-N

Smiles

O([C@@H]1C[C@@H](N(C)C)[C@@H](O[C@@H]2C[C@@H]3O[C@@H]4[C@@H](O[C@@H]3[C@@H](C)O2)O[C@@H](C(C4)=O)C)[C@@H](C)O1)[C@@H]1c2cc3c(c(c2[C@@H]([C@@](C1)(O)CC)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@@H]1C[C@@H]2[C@@H]([C@@H](O1)C)O[C@@H]1[C@@H](O2)CC([C@@H](O1)C)=O)N(C)C)O)C(=O)c1cccc(O)c1C3=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10mg/kg (10mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 795, 1985.