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Substance Name: Spiramycin II acetate
RN: 87111-42-0
UNII: BPB9FJ4QEQ
InChIKey: UEWVJVSNLOFCHN-YTMXBESRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C47-H78-N2-O16

Molecular Weight

  • 927.1312
 
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Names and Synonyms

Name of Substance

  • Spiramycin II acetate

Synonym

  • UNII-BPB9FJ4QEQ

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 87111-42-0

FDA UNII

  • BPB9FJ4QEQ

System Generated Number

  • 0087111420

Structure Descriptors

InChI

1S/C47H78N2O16/c1-26-23-33(21-22-50)43(65-46-41(54)40(49(11)12)42(29(4)60-46)64-39-25-47(8,55)45(30(5)59-39)62-32(7)52)44(56-13)36(61-31(6)51)24-37(53)57-27(2)17-15-14-16-18-35(26)63-38-20-19-34(48(9)10)28(3)58-38/h14-16,18,22,26-30,33-36,38-46,54-55H,17,19-21,23-25H2,1-13H3/b15-14+,18-16+/t26-,27-,28-,29-,30+,33+,34+,35+,36-,38+,39+,40-,41-,42-,43+,44+,45+,46+,47-/m1/s1

InChIKey

UEWVJVSNLOFCHN-YTMXBESRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 943mg/kg (943mg/kg)   Japanese Journal of Antibiotics. Vol. 43, Pg. 1521, 1990.