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18361-48-3

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Basic Information
CAS No.: 18361-48-3
Name: leucomycin A6
Molecular Structure:
Molecular Structure of 18361-48-3 (leucomycin A6)
Formula: C40H65 N O15
Molecular Weight: 800.06
Synonyms: LeucomycinA6 (8CI); Oxacyclohexadecane, leucomycin V deriv.; Antibiotic YL 704B3;Leukomycin A6; Turimycin A3
Density: 1.22g/cm3
Melting Point: 136.5°C
Boiling Point: 867°Cat760mmHg
Flash Point: 478.1°C
Safety: Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
PSA: 171.91000
LogP: 1.82280
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Chemistry

Empirical Formula of Leucomycin A6 (CAS NO.18361-48-3): C40H65NO15
Molecular Weight: 799.9418 g/mol
Index of Refraction: 1.537
Density: 1.227 g/cm3
Flash Point: 478.126 °C
Enthalpy of Vaporization: 143.176 kJ/mol
Boiling Point: 866.97 °C at 760 mmHg
Structure of Leucomycin A6 (CAS NO.18361-48-3):
                      
IUPAC Name: [6-[6-[[(6Z,8E)-15-Acetyloxy-5-hydroxy-16-methoxy-4,11-dimethyl-13-oxo-2-(2-oxoethyl)-12-oxacyclohexadeca-6,8-dien-1-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate
Canonical SMILES: CCC(=O)OC1C(OC(CC1(C)O)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(C=CC=CCC(OC(=O)CC(C3OC)OC(=O)C)C)O)C)CC=O)C)C
Isomeric SMILES: CCC(=O)OC1C(OC(CC1(C)O)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(/C=C\C=C\CC(OC(=O)CC(C3OC)OC(=O)C)C)O)C)CC=O)C)C
InChI: InChI=1S/C40H65NO15/c1-11-30(45)54-38-25(5)51-32(21-40(38,7)48)55-35-24(4)52-39(34(47)33(35)41(8)9)56-36-27(17-18-42)19-22(2)28(44)16-14-12-13-15-23(3)50-31(46)20-29(37(36)49-10)53-26(6)43/h12-14,16,18,22-25,27-29,32-39,44,47-48H,11,15,17,19-21H2,1-10H3/b13-12+,16-14-
InChIKey: ABTSKZKCMFRYNP-LIACPWMRSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:9600 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),810.
2.    

orl-mus LD50:4900 mg/kg

     JJANAX    Japanese Journal of Antibiotics. 37 (1984),1565.
3.    

ipr-mus LD50:800 mg/kg

     85GDA2    CRC Handbook of Antibiotic Compounds, Volumes 1-9. 2 (1980),27.

Safety Profile

Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. When heated to decomposition Leucomycin A6 (CAS NO.18361-48-3) emits toxic fumes of NOx.

Specification

 Leucomycin A6 , its cas register number is 18361-48-3. It also can be called Platenomycin-B3 ; and Leucomycin V, 3-acetate 4(sup B)-propanoate .