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Home> Encyclopedia > Hot Product Listed 6   > 6,11,28-Trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylicacid, 22-[(3-amino-3...
1927-06-6 structure

6,11,28-Trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylicacid, 22-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-12-butyl-1,3,26-trihydroxy-10-oxo-

CAS No.:1927-06-6
Molecular Weight:104.17076
Molecular Formula:C25H38O (isomer)
Names and Identifiers
Synonyms

6,11,28-Trioxatricyclo[22.3.1.05,7]octacosane,lucensomycin deriv. Antibiotic FI 1163 Etruscomicina Etruscomycin(6CI,7CI) FI 1163 Leucensomycin Lucensomycin Lucimycin Stereoisomer of 22-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-12-butyl-1,3,26-trihydroxy-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylicacid

Inchi
InChI=1/C5H14NO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
Canonical Smiles
C[N+](C)(C)CCO
Properties
Density
0.921
Melting Point
298 °C
Boiling Point
847.8°Cat760mmHg
Flash Point
249.6°C
Safety and Handling
Risk Statements
36/37/38
Safety Statements
Hazard Codes XiRisk Statements 36/37/38Safety Statements 26-36WGK Germany 3
Safety

Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. Mutation data reported. Used as an antibiotic. When heated to decomposition Lucensomycin (CAS NO.13058-67-8) emits toxic fumes of NOx.

Toxicity
1.    

dnd-esc 20 µmol/L

    MUREAV    Mutation Research. 89 (1981),95.
2.    

orl-mus LD50:1263 mg/kg

    MEIEDD    Merck Index. 11 (1989),879.
3.    

ipr-mus LD50:37 mg/kg

    85ERAY    Antibiotics: Origin, Nature, and Properties. 2 (1978),967.
4.    

ivn-mus LD50:45 mg/kg

    85ERAY    Antibiotics: Origin, Nature, and Properties. 2 (1978),967.
Specification

 Lucensomycin , its cas register number is 13058-67-8. It also can be called Etruscomycin ; Lucimycin ; and Stereoisomer of 22-((3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy)-12-butyl-1,3,26-trihydroxy-10-oxo-6,11,28-trioxatricyclo(33.3.1.05,7)octacosa-8,14,16,18,20-pentaene-25-carboxylic acid .

Computational chemical data
  • Molecular Weight:104.17076g/mol
  • Molecular Formula:C25H38O
  • Exact Mass:104.107539
  • Monoisotopic Mass:104.107539
  • Complexity:46.5
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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