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Home/Compounds/API/Polymyxin B1
C56H98N16O13
1203.5 g/mol
APIWarning

N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18R,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide

CAS1404-26-8EC215-768-4
Category
API
Compound Class
Peptide
Primary Use
Pharmaceutical Raw Material

This compound is a complex macrocyclic polypeptide antibiotic used as an active pharmaceutical ingredient. It is primarily known for its antibacterial activity against Pseudomonas aeruginosa, including infections of the urinary tract, meninges, bloodstream, and eye.

Pharmaceutical raw material for antibacterial formulationsCompound used in manufacturing of anti-pseudomonal medications

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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Related Compounds

StrongStructure SimilarSimilarity 0.91

Polymyxin B2

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StrongStructure SimilarSimilarity 0.89

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-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]octanamide

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SimilarStructure SimilarSimilarity 0.76

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ReferenceSame Category

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ReferenceSame Category

Neomycin sulfate

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Referencestereoisomer of

Polymyxin B1

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pharmaceutical raw material

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Safety Reference

Harmful
Harmful
Warning
H302Harmful if swallowed

Customs Tariff Classification

The international HS code for N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18R,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide (CAS 1404-26-8) is 2941.90.

HS code (international, 6-digit)

2941.90

EU CN code (8-digit)

2941 90 00

Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.

Identifiers
IUPAC Name

N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18R,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide

InChIKey

WQVJHHACXVLGBL-BPJDFBQWSA-N

SMILES

CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)[C@@H](C)O

Synonyms (5)
  • POLUMYXIN B
  • Polimixina B

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