Pramipexole dihydrochloride

C₁₀H₁₉Cl₂N₃SCAS 104632-25-9284.24 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₀H₁₉Cl₂N₃S
Molar mass: 284.24 g/mol
Exact mass: 283.0677 Da
Melting point: 296–298 °C
logP: 2.26Crippen 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 swallowed100% of notifiers
H317 May cause an allergic skin reaction96.3% of notifiers
H412 Harmful to aquatic life with long lasting effects96.3% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

104632-25-9

SMILES

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

InChIKey

QMNWXHSYPXQFSK-KLXURFKVSA-N

InChI

InChI=1S/C10H17N3S.2ClH/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/t7-;;/m0../s1

Weigh it out

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

Names and synonyms

6 names

2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, hydrochloride (1:2), (6S)-
2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, dihydrochloride, (S)-
2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, dihydrochloride, (6S)-
SND 19
Pramipexole hydrochloride
Pramipexole dihydrochloride anhydrous

Work with Pramipexole dihydrochloride

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 dihydrochloride monohydrate191217-81-9Hydrate Dexpramipexole104632-28-2Free base, enantiomer Pramipexole104632-26-0Free base

Similar compounds

4,5,6,7-Tetrahydro-2,6-benzothiazolediamine104617-49-448 % similar (S)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole106092-09-548 % similar Pramipexole propionamide106006-84-244 % similar 4,5,6,7-Tetrahydro-2-benzothiazolamine2933-29-142 % similar Domin36085-73-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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