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Substance Name: 4''-Acetylspiramycin III
RN: 112501-15-2
UNII: 3OL4892KSB
InChIKey: VCZCNQGYDMIUGX-FLROPGNWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C48-H80-N2-O16

Molecular Weight

  • 941.158
 
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Names and Synonyms

Results Name

  • 4''-Acetylspiramycin III

Name of Substance

  • Spiramycin III acetate

Synonyms

  • 4''-Acetylspiramycin III
  • 4''-O-Acetylspiramycin C
  • UNII-3OL4892KSB

Systematic Name

  • Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 4(sup B)-acetate 3-propanoate, (9-(2R,5S,6R))-

Registry Numbers

CAS Registry Number

  • 112501-15-2

FDA UNII

  • 3OL4892KSB

System Generated Number

  • 0112501152

Structure Descriptors

InChI

1S/C48H80N2O16/c1-14-37(53)63-36-25-38(54)58-28(3)18-16-15-17-19-35(64-39-21-20-34(49(9)10)29(4)59-39)27(2)24-33(22-23-51)44(45(36)57-13)66-47-42(55)41(50(11)12)43(30(5)61-47)65-40-26-48(8,56)46(31(6)60-40)62-32(7)52/h15-17,19,23,27-31,33-36,39-47,55-56H,14,18,20-22,24-26H2,1-13H3/b16-15+,19-17+/t27-,28-,29-,30-,31+,33+,34+,35+,36-,39+,40+,41-,42-,43-,44+,45+,46+,47+,48-/m1/s1

InChIKey

VCZCNQGYDMIUGX-FLROPGNWSA-N

Smiles

CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](OC(=O)C)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C)[C@H]1OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 949mg/kg (949mg/kg)   Japanese Journal of Antibiotics. Vol. 43, Pg. 1521, 1990.