Rivastigmine

C₁₄H₂₂N₂O₂CAS 123441-03-2250.34 g/mol

Open in Covalent MOL file

Carbamate Tertiary amine

Properties

Molecular formula: C₁₄H₂₂N₂O₂
Molar mass: 250.34 g/mol
Exact mass: 250.1681 Da
pKa: 8.8
logP: 2.76Crippen estimate
Polar surface area: 32.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Danger

H300 Fatal if swallowed31.2% of notifiers
H301 Toxic if swallowed62.5% of notifiers
H312 Harmful in contact with skin56.2% of notifiers
H332 Harmful if inhaled56.2% of notifiers
H411 Toxic to aquatic life with long lasting effects62.5% of notifiers

Aggregated from 16 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, P405, P501

Identifiers

CAS number

123441-03-2

SMILES

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

InChIKey

XSVMFMHYUFZWBK-NSHDSACASA-N

InChI

InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1

Weigh it out

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

Names and synonyms

11 names

Carbamic acid, N-ethyl-N-methyl-, 3-[(1S)-1-(dimethylamino)ethyl]phenyl ester
Carbamic acid, ethylmethyl-, 3-[1-(dimethylamino)ethyl]phenyl ester, (S)-
Carbamic acid, ethylmethyl-, 3-[(1S)-1-(dimethylamino)ethyl]phenyl ester
SDZ 212-713
Exelon
ENA 713 free base
S-Rivastigmine
Prometax
Rivastach
[3-[(1S)-1-(Dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
Nimvastid

Work with Rivastigmine

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.

Rivastigmine tartrate129101-54-8Salt

Similar compounds

Demecarium bromide56-94-043 % similar 3-[1-(Dimethylamino)ethyl]phenol105601-04-542 % similar (S)-3-[1-(Dimethylamino)ethyl]phenol139306-10-842 % similar (alphaS)-N,N,alpha-Trimethylbenzenemethanamine17279-31-139 % similar (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-939 % similar Neostigmine bromide114-80-735 % similar Fenoprofen31879-05-732 % similar Norpyridostigmine51581-32-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate203662-66-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook