chempirical

Pramipexole dihydrochloride monohydrate

C10H21Cl2N3OSCAS 191217-81-9302.26 g/mol

Open in Covalent MOL file
HNNHNHSHClHClH2O
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 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

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

Similar compounds

Pramipexole dihydrochloride104632-25-993 % similar Pramipexole104632-26-086 % similar Dexpramipexole104632-28-286 % similar 4,5,6,7-Tetrahydro-2,6-benzothiazolediamine104617-49-445 % similar (6S)-4,5,6,7-Tetrahydro-2,6-benzothiazolediamine106092-09-545 % similar N-[(6S)-2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl]propanamide106006-84-241 % 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

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