Pramipexole dihydrochloride monohydrate

C₁₀H₂₁Cl₂N₃OSCAS 191217-81-9302.26 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₀H₂₁Cl₂N₃OS
Molar mass: 302.26 g/mol
Exact mass: 301.0782 Da
logP: 1.43Crippen estimate
Polar surface area: 83.2 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin21.4% of notifiers
H317 May cause an allergic skin reaction14.3% of notifiers
H332 Harmful if inhaled21.4% of notifiers
H336 May cause drowsiness or dizziness28.6% of notifiers
H362 May cause harm to breast-fed children21.4% of notifiers
H412 Harmful to aquatic life with long lasting effects21.4% of notifiers

Aggregated from 14 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P263, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

191217-81-9

SMILES

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

InChIKey

APVQOOKHDZVJEX-QTPLPEIMSA-N

InChI

InChI=1S/C10H17N3S.2ClH.H2O/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H;1H2/t7-;;;/m0.../s1

Weigh it out

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

Names and synonyms

10 names

2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, hydrochloride, hydrate (1:2:1), (6S)-
2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, dihydrochloride, monohydrate, (S)-
2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, dihydrochloride, monohydrate, (6S)-
Mirapex
Pramipexole hydrochloride hydrate
BI-sifrol
Oprymea
Daquiran
Sifrol
Mirapexin

Work with Pramipexole dihydrochloride monohydrate

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.

Pramipexole dihydrochloride104632-25-9Anhydrous Dexpramipexole104632-28-2Free base, enantiomer Pramipexole104632-26-0Free base

Similar compounds

4,5,6,7-Tetrahydro-2,6-benzothiazolediamine104617-49-445 % similar (S)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole106092-09-545 % similar Pramipexole propionamide106006-84-241 % similar 4,5,6,7-Tetrahydro-2-benzothiazolamine2933-29-139 % similar Domin36085-73-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook