Basic information
- CAS
527-75-3- Standard SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C- InChIKey
IDRYSCOQVVUBIJ-ZTOAHLHUSA-N- Molecular formula
- C37H67NO12
- Average molar mass
- 717.9 g/mol
- Monoisotopic mass
- 717.46632657
Names & identifiers
- Preferred name
- 6-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
- IUPAC
- (3R,4S,6R,7R,9R,11R,12S,13R,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
- English name
- ERYTHROMYCIN B
- Molecular formula
- C37H67NO12
- Molecular weight
- 717.93
Names & synonyms
b erythromycinSCHEMBL29001836Erythromycin B, Berythromycin, 12-Deoxyerythromycin(3R,4S,6R,7R,9R,11R,12S,13R,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione6-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dioneberythromycinabbot24091ERYTHROMYCIN BErythromycin B RSErythromycin B CRS12-deoxyerythromycin12-deoxy-erythromyci
Show more names
Erythromycin B - APIIsoniazid Impurity 15Erythromycin B (100 mg)
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,130
Experimental & physicochemical properties
LogP3.12
Physicochemical properties
- Melting point
- 191 · 191-195 °C
- Boiling point
- 807.6 · 807.6±65.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly, Heated)
- pka
- 13.49 · 13.49±0.70(Predicted)
- FDA UNII
- 686 JJ1YI · AN686JJ1YI
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
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
- hs_code
- 2941500000
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
UsesErythromycin B is a co-metabolite of Erythromycin A (E649950), an antibacterial agent.
UsesErythromycin B (12-deoxyerythromycin A) is a minor co-metabolite of erythromycin produced Saccharopolyspora erythreae. Erythromycin B exhibits broad spectrum antibiotic activity, albeit less potent than erythromycin A. Erythromycin B played an integral part of the SAR studies of semi-synthetic erythromycins, however none reached clinical development.
Suppliers48 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
苏州聚臻医药科技有限公司15365159808 · [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]
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]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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