ChemicalBook--->CAS DataBase List--->6160-12-9

6160-12-9

6160-12-9 Structure

6160-12-9 Structure
IdentificationBack Directory
[Name]

(-)-Sparteine sulfate pentahydrate
[CAS]

6160-12-9
[Synonyms]

LUPINIDINE
SparteiniSulfas
Sulfate pentahydrate
SPARTEINE SULFATE PENTAHYDRATE
SPARTEINE SULFATE, CRYSTALLIZED
LUPINIDINE SULFATE PENTAHYDRATE
(-)-SPARTEINE SULFATE PENTAHYDRATE
(-)-LUPINIDINE SULFATE PENTAHYDRATE
(-)-Sparteine pentahydrate sulfate
(-)-Sparteine sulfate pentahydrate,99%
(-)-SPARTEINE SULFATE SALT PENTAHYDRATE
(-)-Sparteine sulfate pentahydrateLupinidine
(-)-Sparteine sulfate salt, Lupinidine sulfate pentahydrate
(7S,7aR,14S,14aS)-Tetradecahydro-7,14-Methanodipyrido[1,2-a:1',2'-e][1,5]diazocine sulfate pentahydrate
[EINECS(EC#)]

206-078-4
[Molecular Formula]

C15H38N2O9S
[MDL Number]

MFCD00149333
[MOL File]

6160-12-9.mol
[Molecular Weight]

422.54
Chemical PropertiesBack Directory
[Appearance]

white fine crystalline powder
[Melting point ]

133-140 °C(lit.)
[alpha ]

-28 º (589nm, c=2, H2O 25 ºC)
[refractive index ]

-22 ° (C=5, H2O)
[storage temp. ]

2-8°C
[solubility ]

H2O: 0.1 g/mL, clear, colorless
[form ]

Solid
[Merck ]

8737
[InChI]

InChI=1/C15H26N2.H2O4S/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4/h12-15H,1-11H2;(H2,1,2,3,4)/t12-,13-,14-,15+;/s3
[InChIKey]

FCEHFCFHANDXMB-WAZVWRGFNA-N
[SMILES]

[C@]12([H])CN3CCCC[C@]3([H])[C@]([H])(CN3CCCC[C@@]13[H])C2.S(O)(O)(=O)=O |&1:0,8,10,18,r|
[CAS DataBase Reference]

6160-12-9
Hazard InformationBack Directory
[Chemical Properties]

white fine crystalline powder
[Uses]

oxytocic
[storage]

Store at -20°C
[Purification Methods]

Recrystallise the sulfate from aqueous EtOH or H2O, although the solubility in the latter is high. The free (-)-base has b 173o/8mm and is steam volatile but resinifies in air. The dipicrate forms yellow needles from EtOH/Me2CO, m 205-206o [Clemo et al. J Chem Soc 429 1931; see also Bolnmann & Schuman The Alkaloids (Ed Manske) Vol 9 175 1967]. The free (±)-base has m 71-72.5o [van Tamelen & Foltz J Am Chem Soc 82 2400 1960]. [Beilstein 23 II 99, 23 III/IV 18.]
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-20/21/22
[Safety Statements ]

36-24/25
[WGK Germany ]

3
[RTECS ]

WG6430000
[HS Code ]

29399900
Spectrum DetailBack Directory
[Spectrum Detail]

(-)-Sparteine sulfate pentahydrate(6160-12-9)1HNMR
(-)-Sparteine sulfate pentahydrate(6160-12-9)IR1
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