Basic information
- CAS
81103-14-2- Standard SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@@H](O)C(C)O2)[C@H](C)[C@@H](O[C@@H]2OC(C)C[C@@H](N(C)C)C2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](OC)[C@]1(C)O- InChIKey
DWRKNXHSSDFLOJ-ZPEJMWANSA-N- Molecular formula
- C39H71NO13
- Average molar mass
- 762 g/mol
- Monoisotopic mass
- 761.49254132
Names & identifiers
- Preferred name
- (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,4R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-4-[(2R,4S,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7,12-dimethoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
- IUPAC
- (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,4R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-4-[(2R,4S,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7,12-dimethoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
- English name
- 6,11-Di-O-Methyl ErythroMycin
- Molecular formula
- C39H71NO13
- Molecular weight
- 761.98
Names & synonyms
Clarithromycin EP impurity E11-O-MethylclarithroMycinClarithromycin Impurity 56,11-Di-O-Methyl ErythroMycinClarithromycin Impurity E(EP)Erythromycin, 6,11-di-O-methyl-Clarithromycin USP Related Compound AClarithromycin EP Impurity E (USP RC A)Clarithromycin Impurity 5(Clarithromycin EP Impurity E)Clarithromycin Related Compound A/ Clarithromycin - Impurity E
Database identifiers
- CAS
81103-14-2- PubChem CID
- 175673193
- EC Number
- 641-640-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,210
Physicochemical properties
- Melting point
- 252 · 252-257 °C(Solv: dichloromethane (75-09-2); ethyl ether (60-29-7))
- Boiling point
- 808.6 · 808.6±65.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly, Heated), Methanol (Slightly, Heated）
- pka
- 12.96 · 12.96±0.70(Predicted)
- form
- solid
- color
- White to Off-White
- Major Application
- pharmaceuticalpharmaceutical small molecule
- InChIKey
- DWRKNXHSSDFLOJ-XNLUWZQGSA-N
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- HS Code
- 2932206000 · 2932206000
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2932206000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesA Di-O-alkyl Erythromycin (E649950) analog with antibacterial activity.
Uses6,11-Di-O-methyl Erythromycin (Clarithromycin EP Impurity E) is a Di-O-alkyl Erythromycin (E649950) is an impurity of Clarithromycin (C559750). Clarithromycin impurity E per British Pharmacopoeia.
UsesA Di-O-alkyl Erythromycin (E649950) is an impurity of Clarithromycin (C559750). Clarithromycin impurity E per British Pharmacopoeia.
Suppliers57 total
苏州聚臻医药科技有限公司15365159808 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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