Erythromycin ethyl succinate , CAS No.1264-62-6

CAS: 1264-62-6 Cat. No.: E488297 Summenformel: C₄₃H₇₅NO₁₆ Molekulargewicht: 862.05 EG-Nummer: 215-033-8

Synonyms

ERYTHROMYCIN (AS ETHYL SUCCINATE) | Erythromycin, 2'-(ethyl butanedioate) | DivK1c_000764 | Erythromycin, mono(ethyl succinate) (ester) | E.E.S. 200 | HMS2091D03 | MLS001076672 | 1014KSJ86F | E.E.S | ERYTHROMYCIN ETHYL SUCCINATE [MART.] | MLS001074901 | U

Storage

Room temperature

Übersicht

Description

Chemical structure: macrolideErythromycin ethyl succinate is used to study erythromycin-resistantStreptococcus pyogenesandStreptococcus pneumoniae. It has been used to study down-regulation of motilin receptors on rabbit colon myocytes and lethal mutations in outer membrane genes omsA and firA inSalmonella typhimurium.

Specifications

Synonyme

ERYTHROMYCIN (AS ETHYL SUCCINATE) | Erythromycin, 2'-(ethyl butanedioate) | DivK1c_000764 | Erythromycin, mono(ethyl succinate) (ester) | E.E.S. 200 | HMS2091D03 | MLS001076672 | 1014KSJ86F | E.E.S | ERYTHROMYCIN ETHYL SUCCINATE [MART.] | MLS001074901 | U

Storage

Room temperature

Produkteigenschaften

ALogP

3.4

Namen und Kennungen

Kanonisches Lächeln

CCC1C(C(C(C(=O)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)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O

IUPAC Name

4-O-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] 1-O-ethyl butanedioate

InChIKey

NSYZCCDSJNWWJL-YXOIYICCSA-N

INCHI

1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1

Isomere SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C(=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)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O

WGK Deutschland

2

RTECS

WM9800000

Molekulargewicht

862.05

Reaxy-Rn

28936360

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28936360&ln=

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GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Streptococcus (3973 Activities)

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Plasmodium falciparum (966862 Activities)

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Rattus norvegicus (775804 Activities)

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Streptococcus sp. 'group A' (3417 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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ska Streptokinase A (5805 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: ethanol: 50mg/mL
• Molekulargewicht: 862.100 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 14
• Exact Mass: 861.509 Da
• Monoisotopic Mass: 861.509 Da
• Topological Polar Surface Area: 226.000 Ų
• Heavy Atom Count: 60
• Formal Charge: 0
• Complexity: 1450.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1264-62-6, the molecular formula is C43H75NO16, and the molecular weight is 862.05 g/mol. InChIKey NSYZCCDSJNWWJL-YXOIYICCSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.