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11003-24-0

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Basic Information
CAS No.: 11003-24-0
Name: azalomycin-F
Molecular Structure:
Molecular Structure of 11003-24-0 (azalomycin-F)
Formula: C55H93N3O17
Molecular Weight: 1068.33682
Synonyms: azalomycin-F
Density: 1.27g/cm3
Boiling Point: 1165°Cat760mmHg
Flash Point: 658.4°C
Safety: Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately toxic by ingestion.
PSA: 363.33000
LogP: 4.51090
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Chemistry

Empirical Formula of Azalomycin-F (CAS NO.11003-24-0): C55H93N3O17
Molecular Weight: 1068.3368 
Index of Refraction: 1.567
Density: 1.27 g/cm3
Flash Point: 658.4 °C
Enthalpy of Vaporization: 194.46 kJ/mol
Boiling Point: 1165 °C at 760 mmHg
Structure of Azalomycin-F (CAS NO.11003-24-0):
                            
IUPAC Name: 3-[[(13E,15E,21E,23E)-19-[(E)-10-(Diaminomethylideneamino)dec-6-en-2-yl]-1,3,7,9,11,25,27,29,35,36-decahydroxy-4,8,12,16,20,24-hexamethyl-17-oxo-18,37-dioxabicyclo[31.3.1]heptatriaconta-13,15,21,23-tetraen-31-yl]oxy]-3-oxopropanoic acid
Canonical SMILES: CC1CCC(C(C(CC(C(C=CC=C(C(=O)OC(C(C=CC=C(C(CC(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)O)C)C)C(C)CCCC=CCCCN=C(N)N)C)C)O)O)C)O
Isomeric SMILES: CC1CCC(C(C(CC(C(/C=C/C=C(/C(=O)OC(C(/C=C/C=C(/C(CC(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)O)\C)C)C(C)CCC/C=C/CCCN=C(N)N)\C)C)O)O)C)O
InChI: InChI=1S/C55H93N3O17/c1-32-17-14-19-36(5)51(35(4)16-12-10-8-9-11-13-23-58-54(56)57)74-53(71)37(6)20-15-18-33(2)45(63)29-46(64)38(7)43(61)22-21-34(3)48(66)31-55(72)52(70)47(65)28-42(75-55)27-41(73-50(69)30-49(67)68)25-39(59)24-40(60)26-44(32)62/h8-9,14-15,17-20,33-36,38-48,51-52,59-66,70,72H,10-13,16,21-31H2,1-7H3,(H,67,68)(H4,56,57,58)/b9-8+,18-15+,19-14+,32-17+,37-20+
InChIKey: UVUPYXTUQSCQRV-PEKXHOPKSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:580 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 18 (1968),1396.
2.    

ipr-mus LD50:25,900 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 18 (1968),1396.
3.    

scu-mus LD50:162 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 18 (1968),1396.
4.    

ivn-mus LD50:12,500 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 18 (1968),1396.

Safety Profile

Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately toxic by ingestion.

Specification

 Azalomycin-F (CAS NO.11003-24-0) also can be called Azalomycin F monoacetate ; and Azalomycin F .