Tulathromycin

C₄₁H₇₉N₃O₁₂CAS 217500-96-4806.09 g/mol

Open in Covalent MOL file

Acetal Alcohol Ester Ether Lactone Secondary amine Tertiary amine

Properties

Molecular formula: C₄₁H₇₉N₃O₁₂
Molar mass: 806.09 g/mol
Exact mass: 805.5664 Da
logP: 1.93Crippen estimate
Polar surface area: 200.9 Å²
H-bond donors / acceptors: 7 / 15
Rotatable bonds: 11
Stereocentres: S, S, R, S, S, R, S, R, S, R, R, R, R, R, S, R, R, Rin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reaction99.1% of notifiers
H318 Causes serious eye damage32.1% of notifiers
H319 Causes serious eye irritation67% of notifiers
H361 Suspected of damaging fertility or the unborn child32.1% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure32.1% of notifiers
H400 Very toxic to aquatic life33% of notifiers
H410 Very toxic to aquatic life with long lasting effects33% of notifiers
H412 Harmful to aquatic life with long lasting effects66.1% of notifiers

Aggregated from 109 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P272, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P333+P317, P337+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

217500-96-4

SMILES

CCCNC[C@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC

InChIKey

GUARTUJKFNAVIK-QPTWMBCESA-N

InChI

InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+/m1/s1

Weigh it out

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

Names and synonyms

10 names

1-Oxa-6-azacyclopentadecan-15-one, 13-[[2,6-dideoxy-3-C-methyl-3-O-methyl-4-C-[(propylamino)methyl]-α-L-ribo-hexopyranosyl]oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[[2,6-Dideoxy-3-C-methyl-3-O-methyl-4-C-[(propylamino)methyl]-α-L-ribo-hexopyranosyl]oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-1-oxa-6-azacyclopentadecan-15-one
CP 472295
Tulathromycin A
Draxxin
Tulissin
Tulaven
Lydaxx
Increxxa
Tulinovet

Work with Tulathromycin

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

9-Deoxo-9a-aza-9a-homoerythromycin A76801-85-974 % similar Azithromycin83905-01-561 % similar Azithromycin dihydrate117772-70-060 % similar Erythromycin114-07-858 % similar 2-Desethyl-2-propylazithromycin763924-54-558 % similar Gamithromycin145435-72-957 % similar Erythromycin A oxime13127-18-957 % similar Erythromycin thiocyanate7704-67-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tulathromycin B280755-12-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook