Basic information
- CAS
134-36-1- Standard SMILES
CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C- InChIKey
TYQXKHPOXXXCTP-CSLYCKPJSA-N- Molecular formula
- C40H71NO14
- Average molar mass
- 790 g/mol
- Monoisotopic mass
- 789.48745594
Overview
Erythromycin A 2'-propanoate is an erythromycin derivative. It is functionally related to an erythromycin A.
Names & identifiers
- Preferred name
- Erythromycin Propionate
- IUPAC
- [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoate
- English name
- ERYTHROMYCIN PROPIONATE
- Molecular formula
- C40H71NO14
- Molecular weight
- 789.99
Names & synonyms
Erythromycin propionate134-36-1PropionylerythromycinErythromycin, 2'-propionateMonopropionylerythromycinDTXSID9022994HB75CIT999DTXCID302994propionyl eryhthromycinRefChem:921147205-140-8Propiocine
Show more names
D02525Propionyl erythromicin2'-Propionylerythromycinerythromycin,2’-propionateerythromycin,2’-propanoateErythromycin propionate (6CI)
Erythromycin 2'-propionateErythromycin, 2'-propanoateerythromycin 2'-propanoateerythromycin A 2'-propanoateErythromycin propionate [USAN][(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoateErythromycin propionate (USAN)erythromycin-estolate
Database identifiers
- CAS
134-36-1
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,300
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- Melting point
- 122 · 122-126 C
- Boiling point
- 827.7 · 827.7±65.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 0.1 · Acetonitrile: Slightly Soluble: 0.1-1 mg/mLWater: Slightly Soluble: 0.1-1 mg/mL
- pka
- 13.09 · 13.09±0.70(Predicted)
- form
- A solid
- FDA UNII
- 75 CIT999 · HB75CIT999
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- Toxicity
- 50 · mouse,LD50,oral,2870mg/kg (2870mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Antibiotics Annual. Vol. 6, Pg. 354, 1958/1959.
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
- Toxicity
- mouse,LD50,oral,2870mg/kg (2870mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Antibiotics Annual. Vol. 6, Pg. 354, 1958/1959.
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Applications
UsesAntibacterial.
Suppliers9 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
ChemeGen 中国18818260767 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Erythromycin A 2'-propanoate is an erythromycin derivative. It is functionally related to an erythromycin A.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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