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Substance Name: Tolypomycin R
RN: 33889-22-4
InChIKey: RUJHPEIRGYGPOM-WVPYDLLPSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C43-H56-N2-O14

Molecular Weight

  • 824.915
 
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Names and Synonyms

Results Name

  • Tolypomycin R

Synonyms

  • B-2847-R
  • Tolypomycin R
  • Tolypomycin Y, 1,4-didehydro-1-deoxo-4,35-dihydro-1-hydroxy-

Systematic Name

  • L-erythro-Hexopyranose, 2,3,4,6-tetradeoxy-4-((5,6,11,12,13,14,15,16,16a,17,17a,18,21,22-tetradecahydro-2,12,14,16,26-pentahydroxy-10-methoxy-3,6,11,13,15,20-hexamethyl-5,18,21-trioxo-10H-4,6-epoxy-1,23-methenobenzo(d)cycloprop(n)(1,9)oxaazacyclotetracosin-25-yl)amino)-, 12-acetate

Registry Numbers

CAS Registry Number

  • 33889-22-4

System Generated Number

  • 0033889224

Structure Descriptors

InChI

1S/C43H56N2O14/c1-17-14-29(47)24-15-25(24)36(50)19(3)35(49)20(4)39(58-23(7)46)18(2)30(55-9)12-13-56-43(8)41(53)34-32-27(44-26-10-11-31(48)57-22(26)6)16-28(45-42(17)54)38(52)33(32)37(51)21(5)40(34)59-43/h12-14,16,18-20,22,24-26,30-31,35-36,39,44,48-52H,10-11,15H2,1-9H3,(H,45,54)/b13-12-,17-14-

InChIKey

RUJHPEIRGYGPOM-WVPYDLLPSA-N

Smiles

C1[C@@H]([C@@H](O[C@@H](C1)O)C)Nc1c2c3C([C@@]4(OC=C[C@@H]([C@@H]([C@@H]([C@@H](C)[C@@H](O)[C@@H](C)[C@@H]([C@@H]5[C@@H](C(C=C(C(Nc(c(c2c(O)c(c3O4)C)O)c1)=O)C)=O)C5)O)OC(C)=O)C)OC)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 400mg/kg (400mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 2, Pg. 467, 1980.