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Substance Name: 4''-Acetylspiramycin I
RN: 130482-07-4
UNII: 02245B2190
InChIKey: UYYKLUHBJONOFA-RMDIIMEUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H76-N2-O15

Molecular Weight

  • 885.0944
 
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Names and Synonyms

Results Name

  • 4''-Acetylspiramycin I

Name of Substance

  • Spiramycin I acetate

Synonyms

  • 4''-Acetylspiramycin I
  • UNII-02245B2190

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 130482-07-4

FDA UNII

  • 02245B2190

System Generated Number

  • 0130482074

Structure Descriptors

InChI

1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(52)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(29(5)57-37)59-30(6)49)42(54-12)33(50)23-35(51)55-26(2)16-14-13-15-17-34(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,50,52-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27-,28-,29+,31+,32+,33-,34+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1

InChIKey

UYYKLUHBJONOFA-RMDIIMEUSA-N

Smiles

CO[C@H]1[C@H](O)CC(=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]1O[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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 692mg/kg (692mg/kg)   Japanese Journal of Antibiotics. Vol. 43, Pg. 1521, 1990.