Polymyxin B1

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Names

[ CAS No. ]:
4135-11-9

[ Name ]:
Polymyxin B1

[Synonym ]:
(6S)-N-[(2S)-4-Amino-1-{[(2S,3R)-1-{[(2S)-4-amino-1-oxo-1-({(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl}amino)-2-butanyl]amino}-3-hydroxy-1-oxo-2-butanyl]amino}-1-oxo-2-butanyl]-6-methyloctanamide
polymyxin B
Octanamide, N-[(1S)-3-amino-1-[[[(1S,2R)-1-[[[(1S)-3-amino-1-[[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-15-(phenylmethyl)-1,4,7,10,13,16,19-heptaazacyclotricos-21-yl]amino]carbonyl]propyl]amino]carbonyl]-2-hydroxypropyl]amino]carbonyl]propyl]-6-methyl-, (6S)-
Polymyxin B1
polymixin B1

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
1571.6±65.0 °C at 760 mmHg

[ Molecular Formula ]:
C56H98N16O13

[ Molecular Weight ]:
1203.477

[ Flash Point ]:
904.2±34.3 °C

[ Exact Mass ]:
1202.749878

[ PSA ]:
490.66000

[ LogP ]:
-2.87

[ Vapour Pressure ]:
0.0±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.592

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TR1055000
CHEMICAL NAME :
Polymyxin B1
CAS REGISTRY NUMBER :
4135-11-9
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C56-H98-N16-O13
MOLECULAR WEIGHT :
1203.70

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
19 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 4(1),334,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 4(1),334,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 4(1),334,1980

Precursor & DownStream

Precursor

DownStream

  • Polymyxin B nonapeptide

Related Compounds

  • Polymyxin B1 Isoleucine
  • Polymyxin B1,10-L-leucine
  • polymyxin B2
  • Polymyxin B nonapeptide
  • Polymyxin B nonapeptide TFA
  • Polymyxin B, N-sulfomethyl deriv., sodium salt