Erythromycin ethyl succinate

C₄₃H₇₅NO₁₆CAS 1264-62-6862.06 g/mol

Open in Covalent MOL file

Acetal Alcohol Ester Ether Ketone Lactone Tertiary amine

Properties

Molecular formula: C₄₃H₇₅NO₁₆
Molar mass: 862.06 g/mol
Exact mass: 861.5086 Da
Melting point: 109–110 °C
logP: 2.68Crippen estimate
Polar surface area: 226.3 Å²
H-bond donors / acceptors: 4 / 17
Rotatable bonds: 12
Stereocentres: R, S, R, S, S, R, R, S, S, R, R, S, R, R, R, R, R, Sin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reaction29.9% of notifiers
H319 Causes serious eye irritation71.5% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled29.9% of notifiers

Aggregated from 144 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P333+P317, P337+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

1264-62-6

SMILES

CCOC(=O)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

NSYZCCDSJNWWJL-YXOIYICCSA-N

InChI

InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1

Weigh it out

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Names and synonyms

25 names · show all

Erythromycin, 2′-(ethyl butanedioate)
Erythromycin, mono(ethyl succinate) (ester)
Erythromycin, 2′-(ethyl succinate)
Succinic acid, ethyl ester, monoester with erythromycin
Oxacyclotetradecane, erythromycin deriv.
Erythrocin ethyl succinate
Pediamycin
Erythroped
Evesin
Eritrocina
Esinol
EryPed
Paediathrocin
Erythro ES
Wyamycin E
Sigapedil
Durapaediat
Eryliquid
EES
Arpimycin
Erythro-holz
Refkas
Anamycin
E-Mycin e
Monomycin

Work with Erythromycin ethyl succinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Erythromycin114-07-880 % similar Erythromycin estolate3521-62-875 % similar Clarithromycin81103-11-974 % similar Erythromycin thiocyanate7704-67-874 % similar Erythromycin stearate643-22-173 % similar Erythromycin A oxime13127-18-969 % similar Erythromycin A 11,12-carbonate55224-05-066 % similar Erythromycin lactobionate3847-29-865 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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