Basic information
- CAS
107216-09-1- Standard SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=NOC)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
BZXVFUGKJGEBBE-HIKKGGSBSA-N- Molecular formula
- C39H72N2O13
- Average molar mass
- 777 g/mol
- Monoisotopic mass
- 776.50344036
Names & identifiers
- Preferred name
- (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-10-methoxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
- IUPAC
- (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-10-methoxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
- English name
- Clarithromycin Impurity EP G
- Molecular formula
- C39H72N2O13
- Molecular weight
- 777
Names & synonyms
Clarithromycin (9Z)-O-Methyloxime127252-80-6Clarithromycin Impurity EP GErythromycin, 6-O-methyl-, 9-(O-methyloxime) (9CI)Clarithromycin Impurity G (Mixture of Z and E Isomers)Clarithromycin EP Impurity G (Mixture of Z and E Isomers)Clarithromycin EP Impurity G (Mixture of Z and E Isomers)/(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,E)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-12,13-dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-(((2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-12,13-dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-7-methoxy-10-(methoxyimino)-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-(((2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-12,13-dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-7-methoxy-10-(methoxyimino)-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one (Clarithromycin Impurity)
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,240
Physicochemical properties
- Boiling point
- 812.6 · 812.6±75.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 13.18 · 13.18±0.70(Predicted)
Chemistry & industry
Suppliers15 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
广州牌牌生物科技有限公司+86-13602409664 +86-17788709170 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
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Compound notes
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