Erythromycin

C₃₇H₆₇NO₁₃CAS 114-07-8733.94 g/mol

Open in Covalent MOL file

Acetal Alcohol Ester Ether Ketone Lactone Tertiary amine

Properties

Molecular formula: C₃₇H₆₇NO₁₃
Molar mass: 733.94 g/mol
Exact mass: 733.4612 Da
Melting point: 40–135 °C
pKa: 8.9
logP: 1.79Crippen estimate
Polar surface area: 193.9 Å²
H-bond donors / acceptors: 5 / 14
Rotatable bonds: 7
Stereocentres: R, R, S, R, R, S, S, S, R, S, R, S, R, R, R, R, R, Sin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reaction18.7% of notifiers
H319 Causes serious eye irritation32.6% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled18.1% of notifiers
H400 Very toxic to aquatic life14.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects14.5% of notifiers

Aggregated from 193 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P501

Identifiers

CAS number

114-07-8

SMILES

CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O

InChIKey

ULGZDMOVFRHVEP-RWJQBGPGSA-N

InChI

InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

42 names · show all

Erythromycin A
Oxacyclotetradecane, erythromycin deriv.
Dotycin
Erycin
Erythrocin
Erythrogran
Pantomicina
Oxacyclotetradecane-2,10-dione, 4-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, [3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-
Erycinum
Abboticin
Ilotycin
[3R-(3R*,4S*,5S*,6R*,7R*,9R*,11R*,12R*,13S*,14R*)]-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]oxacyclotetradecane-2,10-dione
E-Mycin
Erytab
Erycette
Theramycin Z
T-Stat
Emgel
Erythromast 36
Erythromid
Erymax
Abomacetin
Erycen
ERYC
Retcin
Staticin
PCE
Aknin
Inderm
Ak-mycin
Ermycin
Erygel
EMU
Torlamicina
E-Base
Erythro
Stiemycin
EryDerm
NSC 55929
Vetwic
Eritrex
Eritromed

Work with Erythromycin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Erythromycin stearate643-22-1Salt Erythromycin lactobionate3847-29-8Salt

Similar compounds

Clarithromycin81103-11-992 % similar Erythromycin thiocyanate7704-67-891 % similar Erythromycin A oxime13127-18-985 % similar Erythromycin A 11,12-carbonate55224-05-081 % similar Erythromycin ethyl succinate1264-62-680 % similar 9-Deoxo-9a-aza-9a-homoerythromycin A76801-85-979 % similar Azithromycin83905-01-579 % similar Roxithromycin80214-83-177 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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