Pramipexole

C₁₀H₁₇N₃SCAS 104632-26-0211.33 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₀H₁₇N₃S
Molar mass: 211.33 g/mol
Exact mass: 211.1143 Da
logP: 1.41Crippen estimate
Polar surface area: 51.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation16.7% of notifiers
H317 May cause an allergic skin reaction33.3% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H412 Harmful to aquatic life with long lasting effects50% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

104632-26-0

SMILES

CCCN[C@H]1CCc2[nH]c(=N)sc2C1

InChIKey

FASDKYOPVNHBLU-ZETCQYMHSA-N

InChI

InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1

Weigh it out

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

Names and synonyms

12 names

2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, (6S)-
2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, (S)-
(6S)-4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine
SND 919
SUD 919CL2Y
U 98528E
(-)-Pramipexole
(S)-2-Amino-6-propylamino-4,5,6,7-tetrahydrobenzothiazole
(S)-Pramipexole
6-Propylamino-4,5,6,7-tetrahydro-1,3-benzothiazole-2-amine
(6S)-N6-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
(6S)-6-N-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

Work with Pramipexole

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.

Dexpramipexole104632-28-2Enantiomer Pramipexole dihydrochloride104632-25-9Salt Pramipexole dihydrochloride monohydrate191217-81-9Salt

Similar compounds

4,5,6,7-Tetrahydro-2,6-benzothiazolediamine104617-49-451 % similar (S)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole106092-09-551 % similar Pramipexole propionamide106006-84-246 % similar 4,5,6,7-Tetrahydro-2-benzothiazolamine2933-29-145 % similar Domin36085-73-131 % similar 1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate365996-05-031 % similar R-(-)-BPAP260550-89-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook