(S)-Propyl Pramipexole - CAS 1147937-31-2

Catalog:	BB057581
Product Name:	(S)-Propyl Pramipexole
CAS:	1147937-31-2
Synonyms:	(S)-N6,N6-Dipropyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine;(6S)-4,5,6,7-Tetrahydro-N6,N6-dipropyl-2,6-benzothiazolediamine

Technical Data

IUPAC Name:	5-amino-3-(2-methoxyethyl)-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
Description:	(S)- Propyl Pramipexole is (S)-Pramipexole (P700750) analogue. (S)-Pramipexole (P700750) is a dopamine-D2-receptor agonist. Antiparkinsonian. Pramipexole (Mirapex, Mirapexin, Sifrol) is a non-ergoline dopamine agonist indicated for treating early-stage Parkinson's disease (PD) and restless legs syndrome (RLS).[1] It is also sometimes used off-label as a treatment for cluster headache and to counteract the problems with sexual dysfunction experienced by some users of the selective serotonin reuptake inhibitor (SSRI) antidepressants.
Molecular Weight:	253.41
Molecular Formula:	C13H23N3S
Canonical SMILES:	COCCN1C2=C(C(=O)NC(=N2)N)SC1=O
InChI:	InChI=1S/C8H10N4O3S/c1-15-3-2-12-5-4(16-8(12)14)6(13)11-7(9)10-5/h2-3H2,1H3,(H3,9,10,11,13)
InChI Key:	GHIWCCGDWPQDKN-UHFFFAOYSA-N
Melting Point:	>96°C (dec.)
Solubility:	Chloroform (Slightly), Methanol (Slightly, Sonicated)
Appearance:	Pale Yellow to Light Beige Solid
Storage:	-20°C Freezer
References:	Mierau, J., et al. J. Med. Chem., 30, 494 (1987);Schilling, J.C., et al. Clin. Pharmacol. Ther., 51, 541 (1992);Kieburtz, K., et al. J. Am. Med. Assoc., 278, 125 (1997).

Complexity:	418
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.04736137
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	242.04736137
Rotatable Bond Count:	3
Topological Polar Surface Area:	122Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1