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Substance Name: 4''-O-Deacyl-4''-O-phenylacetyldeltamycin
RN: 63347-45-5
InChIKey: RUYQGZLLKRBRMQ-FOCLMDBBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H65-N-O16

Molecular Weight

  • 875.9995
 
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Names and Synonyms

Results Name

  • 4''-O-Deacyl-4''-O-phenylacetyldeltamycin

Synonym

  • 4''-O-Deacyl-4''-O-phenylacetyldeltamycin

Systematic Name

  • Leucomycin V, 12,13-dihydro-9-deoxy-12,13-epoxy-9-oxo-, 3-acetate 4(sup A)-benzeneacetate, (12S,13S)-

Registry Numbers

CAS Registry Number

  • 63347-45-5

System Generated Number

  • 0063347455

Structure Descriptors

InChI

1S/C45H65NO16/c1-24-19-30(17-18-47)41(42(54-9)34(58-28(5)48)22-36(51)55-25(2)20-33-32(59-33)16-15-31(24)49)62-44-39(52)38(46(7)8)40(26(3)57-44)61-37-23-45(6,53)43(27(4)56-37)60-35(50)21-29-13-11-10-12-14-29/h10-16,18,24-27,30,32-34,37-44,52-53H,17,19-23H2,1-9H3/b16-15+

InChIKey

RUYQGZLLKRBRMQ-FOCLMDBBSA-N

Smiles

CC1CC(C(C(C(CC(=O)OC(CC2C(O2)/C=C/C1=O)C)OC(=O)C)OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)Cc5ccccc5)(C)O)N(C)C)O)CC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 284, 1980.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Japanese Journal of Antibiotics. Vol. 37, Pg. 1488, 1984.