Rivastigmine tartrate

C₁₈H₂₈N₂O₈CAS 129101-54-8400.43 g/mol

Open in Covalent MOL file

Alcohol Carbamate Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₈H₂₈N₂O₈
Molar mass: 400.43 g/mol
Exact mass: 400.1846 Da
Melting point: 123–124 °C
logP: 0.64Crippen estimate
Polar surface area: 147.8 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 7
Stereocentres: S, R, Rin SMILES atom order

Hazards

Danger

H300 Fatal if swallowed90% of notifiers
H301 Toxic if swallowed10% of notifiers
H335 May cause respiratory irritation10% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure40% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P319, P321, P330, P391, P403+P233, P405, P501

Identifiers

CAS number

129101-54-8

SMILES

CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O

InChIKey

GWHQHAUAXRMMOT-MBANBULQSA-N

InChI

InChI=1S/C14H22N2O2.C4H6O6/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4;5-1(3(7)8)2(6)4(9)10/h7-11H,6H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m01/s1

Weigh it out

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

Names and synonyms

7 names

Carbamic acid, ethylmethyl-, 3-[(1S)-1-(dimethylamino)ethyl]phenyl ester, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
Carbamic acid, N-ethyl-N-methyl-, 3-[(1S)-1-(dimethylamino)ethyl]phenyl ester, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
Carbamic acid, ethylmethyl-, 3-[1-(dimethylamino)ethyl]phenyl ester, (S)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)
SDZ-ENA 713
ENA 713
Rivastigmine hydrogentartrate
Rivastigmine bitartrate

Work with Rivastigmine 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 Rivastigmine123441-03-2Free base 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

3-[1-(Dimethylamino)ethyl]phenol105601-04-540 % similar (S)-3-[1-(Dimethylamino)ethyl]phenol139306-10-840 % similar Fenoprofen31879-05-738 % similar Demecarium bromide56-94-037 % similar (3S,4R)-4-(3-Methoxyphenyl)pyrrolidine-3-carboxylic acid937692-64-336 % similar 2-Phenylbutyric acid90-27-733 % similar (-)-2-Phenylbutyric acid938-79-433 % similar N-Methyl-N-[(phenylmethoxy)carbonyl]-L-valine42417-65-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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