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| CAS No.: | 4135-11-9 |
|---|---|
| Name: | polymyxin B(1) |
| Molecular Structure: | |
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| Formula: | C56H98N16O13 |
| Molecular Weight: | 1203.49 |
| Synonyms: | polymyxin B;Polymyxin B1;polymixin B1; |
| Density: | 1.27g/cm3 |
| Boiling Point: | 1571.6°Cat760mmHg |
| Flash Point: | 904.2°C |
| Safety: | Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 490.66000 |
| LogP: | 2.12190 |
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Chemistry
Product Name: Polymyxin B1 (CAS NO.4135-11-9)
Molecular Formula: C56H98N16O13
Molecular Weight: 1203.70g/mol
Mol File: 4135-11-9.mol
Boiling point: 1571.6 °C at 760 mmHg
Flash Point: 904.2 °C
Density: 1.27 g/cm3
Surface Tension: 67.5 dyne/cm
Enthalpy of Vaporization: 256.27 kJ/mol
XLogP3-AA: -2.5
H-Bond Donor: 18
H-Bond Acceptor: 18
Structure Descriptors of Polymyxin B1 (CAS NO.4135-11-9):
Smiles: N(C(CCCC[C@@H](CC)C)=O)[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H]1CCNC([C@H]([C@H](O)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC([C@H](CC(C)C)NC([C@@H](NC([C@@H](NC1=O)CCN)=O)Cc1ccccc1)=O)=O)=O)=O)CCN)[C@@H](C)O)=O)CCN
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 19mg/kg (19mg/kg) | "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 334, 1980. | |
| mouse | LD50 | intravenous | 1500ug/kg (1.5mg/kg) | "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 334, 1980. | |
| mouse | LD50 | subcutaneous | 80mg/kg (80mg/kg) | "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 334, 1980. |
Safety Profile
Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Specification
Polymyxin B1 ,its CAS NO. is 4135-11-9,the synonyms is BRN 0505906 ; UNII-B35S89JSRU .