Arformoterol tartrate

C₂₃H₃₀N₂O₁₀CAS 200815-49-2494.50 g/mol

Open in Covalent MOL file

Alcohol Amide Carboxylic acid Ether Phenol Secondary amine

Properties

Molecular formula: C₂₃H₃₀N₂O₁₀
Molar mass: 494.50 g/mol
Exact mass: 494.1900 Da
logP: 0.10Crippen estimate
Polar surface area: 205.9 Å²
H-bond donors / acceptors: 8 / 9
Rotatable bonds: 12
Stereocentres: R, R, R, Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H330 Fatal if inhaled33.3% of notifiers
H331 Toxic if inhaled33.3% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled66.7% of notifiers
H351 Suspected of causing cancer66.7% of notifiers
H361 Suspected of damaging fertility or the unborn child66.7% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure66.7% of notifiers
H412 Harmful to aquatic life with long lasting effects33.3% of notifiers

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

Precautionary statements

P203, P233, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

200815-49-2

SMILES

C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=CC(=C(C=C2)O)NC=O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

InChIKey

FCSXYHUNDAXDRH-OKMNHOJOSA-N

InChI

InChI=1S/C19H24N2O4.C4H6O6/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-1(3(7)8)2(6)4(9)10/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2,5-6H,(H,7,8)(H,9,10)/t13-,19+;1-,2-/m11/s1

Weigh it out

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

Work with Arformoterol tartrate

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.

Tartaric acid87-69-4Free acid D-Tartaric acid147-71-7Free acid, enantiomer DL-Tartaric acid133-37-9Free acid, enantiomer 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined Formoterol73573-87-2Free base, enantiomer Potassium bitartrate868-14-4Salt Sodium tartrate868-18-8Salt Potassium sodium tartrate304-59-6Salt Potassium tartrate921-53-9Salt N,N-Dimethylethanolamine bitartrate5988-51-2Salt (-)-Epinephrine (+)-bitartrate51-42-3Salt Choline bitartrate87-67-2Salt

Similar compounds

Fenoterol13392-18-241 % similar Fenoterol hydrobromide1944-12-340 % similar 4-Methoxymandelic acid10502-44-037 % similar O-Methyl-D-tyrosine39878-65-437 % similar O-Methyl-L-tyrosine6230-11-137 % similar 2-Ethylamino-1-(4′-methoxyphenyl)propane14367-46-537 % similar Labetalol36894-69-637 % similar Vanillylmandelic acid2394-20-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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