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Substance Name: Megalomicin A, 4A-propanoate
RN: 50692-34-7
InChIKey: YQHODAJDQQTHDA-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C47-H84-N2-O16

Molecular Weight

  • 933.1786
 
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Names and Synonyms

Synonyms

  • 4''-O-Propionylmegalomicin A
  • 4'-Propionylmegalomicin A
  • Antibiotic XK 41B2

Systematic Name

  • Megalomicin A, 4A-propanoate

Registry Numbers

CAS Registry Number

  • 50692-34-7

System Generated Number

  • 0050692347

Structure Descriptors

InChI

1S/C47H84N2O16/c1-17-32-47(12,57)41(54)24(4)37(51)23(3)21-46(11,65-35-20-31(49(15)16)39(53)28(8)59-35)42(64-34-19-30(48(13)14)38(52)27(7)58-34)25(5)40(26(6)44(55)61-32)63-36-22-45(10,56)43(29(9)60-36)62-33(50)18-2/h23-32,34-36,38-43,52-54,56-57H,17-22H2,1-16H3

InChIKey

YQHODAJDQQTHDA-UHFFFAOYSA-N

Smiles

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)CC)(C)O)C)OC3CC(C(C(O3)C)O)N(C)C)(C)OC4CC(C(C(O4)C)O)N(C)C)C)C)O)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 150mg/kg (150mg/kg)   Journal of Antibiotics. Vol. 27, Pg. 493, 1974.