Telithromycin

C₄₃H₆₅N₅O₁₀CAS 191114-48-4812.02 g/mol

Open in Covalent MOL file

Acetal Alcohol Carbamate Ester Ether Ketone Lactone Tertiary amine

Properties

Molecular formula: C₄₃H₆₅N₅O₁₀
Molar mass: 812.02 g/mol
Exact mass: 811.4731 Da
Melting point: 176–188 °C
logP: 4.93Crippen estimate
Polar surface area: 171.8 Å²
H-bond donors / acceptors: 1 / 13
Rotatable bonds: 11
Stereocentres: R, R, R, R, S, R, S, R, R, R, R, R, Sin SMILES atom order

Hazards

Danger

H318 Causes serious eye damage66.7% of notifiers
H362 May cause harm to breast-fed children66.7% of notifiers
H370 Causes damage to organs33.3% of notifiers
H400 Very toxic to aquatic life33.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P263, P264, P264+P265, P270, P273, P280, P305+P354+P338, P308+P316, P317, P318, P321, P391, P405, P501

Identifiers

CAS number

191114-48-4

SMILES

CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C

InChIKey

LJVAJPDWBABPEJ-PNUFFHFMSA-N

InChI

InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1

Weigh it out

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

Names and synonyms

7 names

2H-Oxacyclotetradecino[4,3-d]oxazole-2,6,8,14(1H,7H,9H)-tetrone, 4-ethyloctahydro-11-methoxy-3a,7,9,11,13,15-hexamethyl-1-[4-[4-(3-pyridinyl)-1H-imidazol-1-yl]butyl]-10-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-
(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-Ethyloctahydro-11-methoxy-3a,7,9,11,13,15-hexamethyl-1-[4-[4-(3-pyridinyl)-1H-imidazol-1-yl]butyl]-10-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-2H-oxacyclotetradecino[4,3-d]oxazole-2,6,8,14(1H,7H,9H)-tetrone
RU 66647
HMR 3647
Erythromycin, 3-de[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-11,12-dideoxy-6-O-methyl-3-oxo-12,11-[oxycarbonyl[[4-[4-(3-pyridinyl)-1H-imidazol-1-yl]butyl]imino]]-
Ketek
Levviax

Work with Telithromycin

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

Solithromycin760981-83-761 % similar Erythromycin A 11,12-carbonate55224-05-044 % similar Clarithromycin81103-11-943 % similar Erythromycin114-07-840 % similar Erythromycin thiocyanate7704-67-838 % similar (1Z,3R,4R,5S,6R,9R,10S,11S,12R,13R,15R)-10-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-6-ethyl-4,5-dihydroxy-3,5,9,11,13,15-hexamethyl-12-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-7,16-dioxa-2-azabicyclo[11.2.1]hexadec-1-en-8-one99290-97-837 % similar Erythromycin stearate643-22-137 % similar Erythromycin A oxime13127-18-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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