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Substance Name: Mycinamicin I, 12,13-deepoxy-12,13-didehydro-
RN: 73684-71-6
InChIKey: DBTIHDIIXPQOFR-JMHKOBKLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C37-H61-N-O11

Molecular Weight

  • 695.8849
 
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Names and Synonyms

Synonyms

  • 12,13-Deepoxy-12,13-didehydromycinamicin I
  • Antibiotic A 11725 Ia
  • BRN 5204883
  • Mycinamicin IV
  • Mycinomycin IV

Systematic Name

  • Mycinamicin I, 12,13-deepoxy-12,13-didehydro-

Registry Numbers

CAS Registry Number

  • 73684-71-6

System Generated Number

  • 0073684716

Structure Descriptors

InChI

1S/C37H61NO11/c1-11-29-26(20-45-37-35(44-10)34(43-9)31(41)25(6)47-37)14-12-13-15-28(39)22(3)18-23(4)33(21(2)16-17-30(40)48-29)49-36-32(42)27(38(7)8)19-24(5)46-36/h12-17,21-27,29,31-37,41-42H,11,18-20H2,1-10H3/b14-12+,15-13+,17-16+/t21-,22+,23-,24+,25+,26+,27-,29+,31+,32+,33+,34+,35+,36-,37+/m0/s1

InChIKey

DBTIHDIIXPQOFR-JMHKOBKLSA-N

Smiles

CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   British UK Patent Application. Vol. #2020647A,