C88H100Cl2N10O28
1816.7 g/mol
APIWarning
Dalbavancin
CAS171500-79-1
Category
API
Compound Class
Peptide
Primary Use
Pharmaceutical Raw Material
Dalbavancin is a lipoglycopeptide antibacterial active pharmaceutical ingredient. It is a derivative of A-40926 and interferes with peptidoglycan synthesis, making it a compound used in pharmaceutical manufacturing.
Pharmaceutical raw material for antibacterial drug productsLipoglycopeptide antibiotic compound for research and development
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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CAS 171500-79-1
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Safety Reference
Warning
H361Suspected of damaging fertility or the unborn child
H373May cause damage to organs through prolonged or repeated exposure
H400Very toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects
Identifiers
IUPAC Name
(2S,3S,4R,5R,6S)-6-[[(1S,2R,19R,22R,34S,37R,40R,52S)-5,32-dichloro-52-[3-(dimethylamino)propylcarbamoyl]-2,26,31,44,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,65-henicosaen-64-yl]oxy]-3,4-dihydroxy-5-(10-methylundecanoylamino)oxane-2-carboxylic acid
InChIKey
KGPGQDLTDHGEGT-SZUNQUCBSA-N
SMILES
CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC=C(O3)C=C2)C(=O)N1)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O
Synonyms (15)
- A-A-1
- Dalbavancin
- Dalbavancin Impurity 24
- Dalbavancina
- Dalvance
- MDL 63,397
- MDL 64,397
- Zeven
- dalbavancin B0
- dalbavancine
- dalbavancinum