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Substance Name: Megalomycin C2
RN: 49669-77-4
InChIKey: CZALPQDKXGHQPI-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C49-H86-N2-O17

Molecular Weight

  • 975.215
 
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Names and Synonyms

Results Name

  • Megalomycin C2

Synonyms

  • Antibiotic XK 41A1
  • Megalomicin C2
  • Megalomycin C2
  • W-847-C2
  • XK-41-A1

Systematic Name

  • Megalomicin A, 3(sup A)-acetate 4(sup A)-propionate

Registry Numbers

CAS Registry Number

  • 49669-77-4

System Generated Number

  • 0049669774

Structure Descriptors

InChI

1S/C49H86N2O17/c1-18-34-49(13,59)41(57)27(6)37(54)24(3)22-47(11,68-46-39(56)33(51(16)17)21-26(5)61-46)42(66-45-38(55)32(50(14)15)20-25(4)60-45)28(7)40(29(8)44(58)63-34)65-36-23-48(12,67-31(10)52)43(30(9)62-36)64-35(53)19-2/h24-30,32-34,36,38-43,45-46,55-57,59H,18-23H2,1-17H3

InChIKey

CZALPQDKXGHQPI-UHFFFAOYSA-N

Smiles

O(C(=O)C)[C@@]1([C@@H]([C@@H](O[C@@H](O[C@@H]2[C@@H](C(=O)O[C@@H](CC)[C@@](C)([C@@H]([C@@H](C)C([C@@H](C[C@@]([C@@H]([C@@H]2C)O[C@@H]2[C@@H]([C@@H](C[C@@H](O2)C)N(C)C)O)(C)O[C@@H]2O[C@@H](C[C@@H]([C@@H]2O)N(C)C)C)C)=O)O)O)C)C1)C)OC(CC)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 2, Pg. 65, 1980.
mouse LD50 intravenous 75mg/kg (75mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 2, Pg. 65, 1980.