Pramipexole Impurity F

CAT: 1299-RM-P181609-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P181609-01Size:10 mg

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CAS Number

1346617-47-7

Synonyms

(S) -4,5,6,7-Tetrahydro-N2, N6-propionyl-2,6-benzothiazolediamine

Molecular Formula

C13H19N3O2S

Molecular Weight

281.37

Target Alternative Name

Pramipexole

Product Name Synonym

(S) -4,5,6,7-Tetrahydro-N2, N6-propionyl-2,6-benzothiazolediamine

Chemical Information

Pramipexole diamide

CAS Number	1346617-47-7
PubChem CID	70702373
IUPAC Name	N-[(6S)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide
Molecular Formula	C13H19N3O2S
Molecular Weight	281.38
XLogP	1.5
Topological Polar Surface Area	99.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	351

SMILES

CCC(=O)N[C@H]1CCC2=C(C1)SC(=N2)NC(=O)CC

InChI

InChI=1S/C13H19N3O2S/c1-3-11(17)14-8-5-6-9-10(7-8)19-13(15-9)16-12(18)4-2/h8H,3-7H2,1-2H3,(H,14,17)(H,15,16,18)/t8-/m0/s1

InChIKey

IENNBFXOKKQJGB-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 1346617-47-7

CID: 70702373

Formula: C13H19N3O2S

MW: 281.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.38
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	281.11979803
Monoisotopic Mass	281.11979803
Topological Polar Surface Area	99.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	351
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-P181643-01	Pramipexole Impurity 43 (Pramipexole Dimer)
RM-P181641-01	Pramipexole Impurity 41
RM-P181640-01	Pramipexole Impurity 40
RM-P181639-01	Pramipexole Impurity 39
RM-P181328-01	Pramipexole Impurity 2
RM-P181665-01	Pramipexole Impurity 65
RM-P181322-01	Pramipexole Impurity 22
RM-P181684-01	Pramipexole Impurity 84
RM-P181692-01	Pramipexole Impurity 92
RM-P181637-01	Pramipexole Impurity Z