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10072-50-1

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Basic Information
CAS No.: 10072-50-1
Name: N2-(6-Methyloctanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-)
Molecular Structure:
Molecular Structure of 10072-50-1 (N2-(6-Methyloctanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-))
Formula: C50H93 N15 O15
Molecular Weight: 1144.58
Synonyms: Octanamide,N-[3-amino-1-[[2-hydroxy-1-[[2-hydroxy-1-[[2,11,14-tris(2-aminoethyl)-8,17-bis(1-hydroxyethyl)-5-isobutyl-3,6,9,12,15,18,23-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricos-22-yl]carbamoyl]ethyl]carbamoyl]propyl]carbamoyl]propyl]-6-methyl-(7CI); Polymyxin D1 (8CI,9CI); 1,4,7,10,13,16,19-Heptaazacyclotricosane, cyclicpeptide deriv.;N2-(6-Methyl-1-oxooctyl)-L-2,4-diaminobutanoyl-L-threonyl-D-seryl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-leucyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threoninecyclic (10®4)-peptide
Density: 1.3g/cm3
Boiling Point: 1581.3°Cat760mmHg
Flash Point: 910.2°C
Safety: Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
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Chemistry

Product Name: Polymyxin D1 (CAS NO.10072-50-1)


Molecular Formula: C50H93N15O15
Molecular Weight: 1144.58g/mol
Mol File: 10072-50-1.mol
Boiling point: 1581.3 °C at 760 mmHg
Flash Point: 910.2 °C
Density: 1.3 g/cm3
Surface Tension: 69.3 dyne/cm
Enthalpy of Vaporization: 276.41 kJ/mol
Vapour Pressure:
XLogP3-AA: -3.7
H-Bond Donor: 19
H-Bond Acceptor: 19
Structure Descriptors of Polymyxin D1 (CAS NO.10072-50-1):
  Smiles: O[C@@H]([C@@H](C(N[C@@H](C(=O)N[C@@H]1C(N[C@@H](C(N[C@@H](C(N[C@@H]([C@@H](C)O)C(N[C@@H](CCN)C(N[C@@H](C(N[C@@H](C(NCC1)=O)[C@@H](C)O)=O)CCN)=O)=O)=O)CC(C)C)=O)CCN)=O)CO)=O)NC(=O)[C@@H](NC(CCCC[C@@H](CC)C)=O)CCN)C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 27mg/kg (27mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 336, 1980.
mouse LD50 intravenous 3mg/kg (3mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 336, 1980.
mouse LD50 subcutaneous 35mg/kg (35mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 336, 1980.

Safety Profile

Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Polymyxin D1 ,its CAS NO. is 10072-50-1,the synonyms is Polymyxin D .