Basic information
- CAS
145645-54-1- 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)(O)C[C@@H](C)/C(=N\O)[C@H](C)[C@@H](O)[C@]1(C)O.Cl- InChIKey
YSDKKQHHADWTOQ-QQCBZEHASA-N- Molecular formula
- C37H69ClN2O13
- Average molar mass
- 785.4 g/mol
- Monoisotopic mass
- 784.448818
Names & identifiers
- Preferred name
- Clarithromycin EP Impurity J(Roxithromycin EP Impurity C) HCl
- IUPAC
- (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,4R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4S,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;hydrochloride
Names & synonyms
Clarithromycin EP Impurity J(Roxithromycin EP Impurity C) HCl145645-54-1
Database identifiers
- CAS
145645-54-1- PubChem CID
- 175673203
- EC Number
- 604-483-4
Properties
Computed structural properties
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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