Erythromycin Oxime - ≥93% , CAS No.13127-18-9

CAS: 13127-18-9 Cat. No.: E352520 분자식: C₃₇H₆₈N₂O₁₃ 분자량: 748.94 EC 번호: 437-070-0

GRADE & PURITY ≥93%

Synonyms

AKOS015895597 | Erythromycinoxime | (9Z)-Erythromycin A Oxime | PD121741 | (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

Product Application：

Erythromycin A Oxime (Roxithromycin Impurity C) (Clarithromycin EP Impurity J) is the major metabolite of Roxithromycin and an intermediate of Azithromycin. Antibacterial agent. Roxithromycin impurity C.

Specifications

동의어

AKOS015895597 | Erythromycinoxime | (9Z)-Erythromycin A Oxime | PD121741 | (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-

사양 및 순도

≥93%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥93%

이름과 식별자

Pubchem Sid

504763872

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763872

정식 스마일

CCC1C(C(C(C(=NO)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O

IUPAC Name

(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

InChIKey

KYTWXIARANQMCA-PGYIPVOXSA-N

INCHI

1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3/b38-27-/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1

이성체 SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\O)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O

분자량

748.94

Reaxy-Rn

25334014

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25334014&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: Macrolides and analogues O-glycosyl compounds Monosaccharides Oxanes Tertiary alcohols Secondary alcohols Amino acids and derivatives Carboxylic acid esters Lactones Trialkylamines 1,2-aminoalcohols Monocarboxylic acids and derivatives Polyols Dialkyl ethers Oximes Oxacyclic compounds Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Macrolide - Glycosyl compound - O-glycosyl compound - Monosaccharide - Oxane - Tertiary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Acetal - Monocarboxylic acid or derivatives - Polyol - Oxime - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organonitrogen compound - Organopnictogen compound - Organic oxide - Amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in Choroform, Dichloromethane and Methanol
• 끓는점(°C): 841.027° C at 760 mmHg
• 녹는점(°C): 159-161° C
• 분자량: 748.900 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 7
• Exact Mass: 748.472 Da
• Monoisotopic Mass: 748.472 Da
• Topological Polar Surface Area: 209.000 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 1210.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1