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Substance Name: Megalomycin C1
RN: 49669-76-3
InChIKey: AOCKNXLGBSUHIQ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C48-H84-N2-O17

Molecular Weight

  • 961.189
 
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Names and Synonyms

Results Name

  • Megalomycin C1

Synonyms

  • 3',4'-Diacetylmegalomycin A
  • Antibiotic XK 41A2
  • BRN 1418641
  • Megalomicin C1
  • Megalomycin C1
  • W-847-C1
  • XK-41-A2

Systematic Name

  • Megalomicin A, 3(sup A),4(sup A)-diacetate

Registry Numbers

CAS Registry Number

  • 49669-76-3

System Generated Number

  • 0049669763

Structure Descriptors

InChI

1S/C48H84N2O17/c1-18-34-48(13,58)40(56)26(5)36(53)23(2)21-46(11,67-45-38(55)33(50(16)17)20-25(4)60-45)41(65-44-37(54)32(49(14)15)19-24(3)59-44)27(6)39(28(7)43(57)63-34)64-35-22-47(12,66-31(10)52)42(29(8)61-35)62-30(9)51/h23-29,32-35,37-42,44-45,54-56,58H,18-22H2,1-17H3

InChIKey

AOCKNXLGBSUHIQ-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](O[C@@H]3[C@@H]([C@@H](C[C@@H](O3)C)N(C)C)O)[C@@H]2C)(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(C)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Antibiotics. Vol. 22, Pg. 265, 1969.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 22, Pg. 265, 1969.
mouse LD50 subcutaneous 1500mg/kg (1500mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 2, Pg. 64, 1980.