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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...
4774-24-7 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-

Iupac Name:2-piperazin-1-ylquinoline
CAS No.:4774-24-7
Molecular Weight:213.284
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=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
InChkey
XRXDAJYKGWNHTQ-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCN1)C2=NC3=CC=CC=C3C=C2
Properties
Density
0.921
Boiling Point
847.8°Cat760mmHg
Refractive Index
1.628
Flash Point
249.6°C
Safety and Handling
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 .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H312 Harmful in contact with skin

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P362+P364 Take off contaminated clothing and wash it before reuse.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:213.284g/mol
  • Molecular Formula:C25H38O
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.5
  • Exact Mass:213.127
  • Monoisotopic Mass:213.127
  • Complexity:225
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:28.2A^2
  • Heavy Atom Count:16
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx8AAAHAAQAAAADAjBHgQx8PPIEACg AyZiZACCgCkhAiAJmKA4ZJiIYOLAmZGUIAhokALIyCcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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