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CAS 104632-25-9 Pramipexole dihydrochloride molecular structure lightbox
CAS RN: 104632-25-9

Pramipexole dihydrochloride

  • Product code: SSC-006390
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104632-25-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

104632-25-9 / (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dihydrochloride

Pramipexole dihydrochloride | Mirapex ER | 4R2HD0M28N

Standard CAS: 104632-25-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104632-25-9
Multi CAS
Yes
Molecular Formula
C10H19Cl2N3S
Molecular Weight
284.200000
Exact Mass
283.067674
SMILES
CCCN[C@H]1CCC2=C(C1)SC(=N2)N.Cl.Cl
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
InChIKey
QMNWXHSYPXQFSK-KLXURFKVSA-N
Synonyms
Pramipexole dihydrochloride Mirapex ER 4R2HD0M28N Pramipexole Dihydrochloride Anhydrous DTXSID90146623

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.13
TPSA
50.94

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.43
Consensus LogP
2.33
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (96.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H412 (96.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501

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