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(S)-Rivastigmine

CAT: 0572-TRC-R540995-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R540995-500MGSize:500 mg
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CAS Number
123441-03-2
Synonyms
3-[(1S)-1-(Dimethylamino)ethyl]phenyl ethyl(methyl)carbamate; Carbamic acid, N-ethyl-N-methyl-, 3-[(1S)-1-(dimethylamino)ethyl]phenyl ester; Carbamic acid, ethylmethyl-, 3-[(1S)-1-(dimethylamino)ethyl]phenyl ester (9CI); Carbamic acid, ethylmethyl-, 3-[1-(dimethylamino)ethyl]phenyl ester, (S)-; ENA 713 free base; Exelon; Prometax; Rivastach; S-Rivastigmine; SDZ 212-713; [3-[(1S)-1-(Dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
Hazard Statement
Toxic if swallowed; UN number: UN2810; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Molecular Formula
C14 H22 N2 O2
Molecular Weight
250.34
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
Additionnal Information
IUPAC name: [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Rivastigmine

Rivastigmine is a carbamate ester obtained by formal condensation of the carboxy group of ethyl(methyl)carbamic acid with the phenolic OH group of 3-[(1S)-1-(dimethylamino)ethyl]phenol. A reversible cholinesterase inhibitor. It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor, a cholinergic drug and a neuroprotective agent. It is a carbamate ester and a tertiary amino compound. It is a conjugate base of a rivastigmine(1+).

CAS Number123441-03-2
PubChem CID77991
IUPAC Name[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
Molecular FormulaC14H22N2O2
Molecular Weight250.34
XLogP2.3
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity269
SMILES
CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C
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
InChIKey
XSVMFMHYUFZWBK-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Rivastigmine
CAS: 123441-03-2
CID: 77991
Formula: C14H22N2O2
MW: 250.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.34
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass250.168127949
Monoisotopic Mass250.168127949
Topological Polar Surface Area32.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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