11-((2-Dimethylaminoethyl)oxymethyl)erythromycin A 9-methoxime

HCID 84017

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Basic information

CAS: 107749-17-7
Standard SMILES: CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NOC)C(C)C(OCOCCN(C)C)C1(C)O
InChIKey: OYWJWZVRBXELPW-UHFFFAOYSA-N
Molecular formula: C43H81N3O14
Average molar mass: 864.1 g/mol
Monoisotopic mass: 863.57185427

Overview

11-((2-Dimethylaminoethyl)oxymethyl)erythromycin A 9-methoxime is an aminoglycoside.

Names & identifiers

Preferred name: 11-((2-Dimethylaminoethyl)oxymethyl)erythromycin A 9-methoxime
IUPAC: 12-[2-(dimethylamino)ethoxymethoxy]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-methoxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

Names & synonyms

107749-17-711-((2-Dimethylaminoethyl)oxymethyl)erythromycin A 9-methoxime12-[2-(dimethylamino)ethoxymethoxy]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-methoxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-oneER 42859ER-42859CHEBI:23020511-O-((2-(Dimethylamino)ethoxy)methyl)erythromycin 9-(O-methyloxime)Erythromycin, 11-O-((2-(dimethylamino)ethoxy)methyl)-, 9-(O-methyloxime)

Database identifiers

CAS: 107749-17-7
PubChem CID: 84017
ChEBI: CHEBI:230205

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 200 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 17
Rotatable bonds: 14
Heavy atoms: 60
Formal charge: 0
Complexity: 1,360

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