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Substance Name: 3'',4''-Diacetylspiramycin III
RN: 110159-29-0
InChIKey: BQLZZUKTDQZPOP-ZGKINNLQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C50-H82-N2-O17

Molecular Weight

  • 983.1948
 
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Names and Synonyms

Results Name

  • 3'',4''-Diacetylspiramycin III

Synonym

  • 3'',4''-Diacetylspiramycin III

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 110159-29-0

System Generated Number

  • 0110159290

Structure Descriptors

InChI

1S/C50H82N2O17/c1-15-39(56)65-38-26-40(57)60-29(3)19-17-16-18-20-37(66-41-22-21-36(51(10)11)30(4)61-41)28(2)25-35(23-24-53)46(47(38)59-14)68-49-44(58)43(52(12)13)45(31(5)63-49)67-42-27-50(9,69-34(8)55)48(32(6)62-42)64-33(7)54/h16-18,20,24,28-32,35-38,41-49,58H,15,19,21-23,25-27H2,1-14H3/b17-16+,20-18-

InChIKey

BQLZZUKTDQZPOP-ZGKINNLQSA-N

Smiles

CCC(=O)OC1CC(=O)OC(C/C=C/C=C\C(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC(=O)C)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1430mg/kg (1430mg/kg)   Japanese Journal of Antibiotics. Vol. 43, Pg. 1521, 1990.