Tilmicosin phosphate salt - ≥95%, mixture of cis and trans , CAS No.137330-13-3

CAS: 137330-13-3 Cat. No.: T329627 Formula: C₄₆H₈₃N₂O₁₇P Peso molecolare: 967.13 Numero EC: 641-061-9 PubChem CID: 5282522

GRADE & PURITY ≥95%, mixture of cis and trans

Synonyms

Tilmicosinphosphate | TYLOSIN, 4 SUP(A)-O-DE(2,6-DIDEOXY-3-C-METHYL-alpha-L-RIBO-HEXOPYRANOSYL)-20-DEOXO-20-(3,5-DIMETHYL-1-PIPERIDINYL)-, (20(CIS))-, PHOSPHATE (1:1) (SALT) | MFCD06797805 | Tilmicosin phosphate | Tylosin, 4(sup A)-O-de(2,6-dideoxy-3-C-me

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Tilmicosin phosphate is the phosphate salt of the semi-synthetic antibiotic derivative of desmycosin (tylosin B), a minor co-metabolite of tylosin, prepared by mixing the active tilmicosin with phosphoric acid to provide improved solubility and enhanced pharmacokinetics.

Specifications

Sinonimi

Tilmicosinphosphate | TYLOSIN, 4 SUP(A)-O-DE(2,6-DIDEOXY-3-C-METHYL-alpha-L-RIBO-HEXOPYRANOSYL)-20-DEOXO-20-(3,5-DIMETHYL-1-PIPERIDINYL)-, (20(CIS))-, PHOSPHATE (1:1) (SALT) | MFCD06797805 | Tilmicosin phosphate | Tylosin, 4(sup A)-O-de(2,6-dideoxy-3-C-me

Specifiche e purezza

≥95%, mixture of cis and trans

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504763442

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763442

Sorrisi canonici

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC.OP(=O)(O)O

IUPAC Name

(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione;phosphoric acid

InChIKey

NESIVXZOSKKUDP-ARVJLQODSA-N

INCHI

1S/C46H80N2O13.H3O4P/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45;1-5(2,3)4/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3;(H3,1,2,3,4)/b15-14+,25-19+;/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-;/m1./s1

Isomeri SMILES

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.OP(=O)(O)O

PubChem CID

5282522

Peso molecolare

967.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: Macrolides and analogues O-glycosyl compounds Piperidines Oxanes Organic phosphoric acids and derivatives Monosaccharides Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Cyclic ketones Lactones Oxacyclic compounds Acetals Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Macrolide - O-glycosyl compound - Glycosyl compound - Monosaccharide - Organic phosphoric acid derivative - Oxane - Piperidine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Cyclic ketone - Lactone - Ketone - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Aldehyde - Amine - Organopnictogen compound - Organonitrogen compound - Organic oxide - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Solubilità: Soluble in ethanol, methanol, DMF, DMSO, and water.
• Sensibilità: Moisture sensitive
• Punto di fusione (°C): 130-135° C
• Peso molecolare: 967.100 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 12
• Exact Mass: 966.543 Da
• Monoisotopic Mass: 966.543 Da
• Topological Polar Surface Area: 264.000 Ų
• Heavy Atom Count: 66
• Formal Charge: 0
• Complexity: 1470.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 19
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 2

XLogP3