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Substance Name: Megalomicin A, 4(sup A)-acetate
RN: 49669-75-2
InChIKey: KHOCFDNYFNYCOL-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C46-H82-N2-O16

Molecular Weight

  • 919.152
 
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Names and Synonyms

Synonyms

  • 4'-Acetylmegalomicin A
  • Antibiotic XK 41B1
  • BRN 1418416
  • Megalomicin B
  • Megalomycin B
  • W-847-B
  • XK-41-B1

Systematic Name

  • Megalomicin A, 4(sup A)-acetate

Registry Numbers

CAS Registry Number

  • 49669-75-2

System Generated Number

  • 0049669752

Structure Descriptors

InChI

1S/C46H82N2O16/c1-17-32-46(12,56)38(53)25(5)34(50)22(2)20-45(11,64-43-36(52)31(48(15)16)19-24(4)58-43)39(63-42-35(51)30(47(13)14)18-23(3)57-42)26(6)37(27(7)41(54)61-32)62-33-21-44(10,55)40(28(8)59-33)60-29(9)49/h22-28,30-33,35-40,42-43,51-53,55-56H,17-21H2,1-16H3

InChIKey

KHOCFDNYFNYCOL-UHFFFAOYSA-N

Smiles

O([C@@H]1O[C@@H](C)C[C@@H](N(C)C)[C@@H]1O)[C@@H]1[C@@H]([C@@H]([C@@H](C(=O)O[C@@H](CC)[C@@](C)([C@@H]([C@@H](C)C([C@@H](C[C@@]1(C)O[C@@H]1[C@@H]([C@@H](C[C@@H](O1)C)N(C)C)O)C)=O)O)O)C)O[C@@H]1O[C@@H]([C@@H]([C@@](C1)(O)C)OC(C)=O)C)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. 63, 1980.