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7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine,dodecahydro-, (7S,7aR,14S,14aS)-(CAS No. 90-39-1)

7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine,dodecahydro-, (7S,7aR,14S,14aS)- C15H26N2 (cas 90-39-1) Molecular Structure

90-39-1 Structure

Identification and Related Records

【Name】
7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine,dodecahydro-, (7S,7aR,14S,14aS)-
【CAS Registry number】
90-39-1
【Synonyms】
7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine,dodecahydro-, [7S-(7a,7aa,14a,14ab)]-
Sparteine (6CI,8CI)
(-)-Sparteine
6b,7a,9a,11a-Pachycarpine
Lupinidin
Lupinidine
Spartein
l-Sparteine
【EINECS(EC#)】
201-988-8
【Molecular Formula】
C15H26N2 (Products with the same molecular formula)
【Molecular Weight】
234.38
【Inchi】
InChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m1/s1
【InChIKey】
SLRCCWJSBJZJBV-PYHGIMPFSA-N
【Canonical SMILES】
C1CCN2CC3CC(C2C1)CN4C3CCCC4
【Isomers smiles】
C1CCN2C[C@H]3C[C@@H]([C@H]2C1)CN4[C@H]3CCCC4
【MOL File】
90-39-1.mol

Chemical and Physical Properties

【Density】
1.02
【Boiling Point】
137-138℃
【Refractive Index】
1.528
【Flash Point】
113℃
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:234.38034 [g/mol]
Molecular Formula:C15H26N2
XLogP3-AA:2.5
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:234.209599
MonoIsotopic Mass:234.209599
Topological Polar Surface Area:6.5
Heavy Atom Count:17
Formal Charge:0
Complexity:263
Isotope Atom Count:0
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:4
Effective Rotor Count:2.2
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R20/21/22
【Safety Statements 】
S36
【HazardClass】
6.1(b)
【Safety】
Hazard Codes:Xn
Risk Statements:20/21/22
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
Safety Statements:36
36:Wear suitable protective clothing
RIDADR:3140
WGK Germany:3
HazardClass:6.1(b)
PackingGroup:III
【PackingGroup 】
III
【Transport】
3140
【Specification】

Safety Statements:36
36:Wear suitable protective clothing

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
- Drugs that stimulate contraction of the myometrium. They are used to induce LABOR, OBSTETRIC at term, to prevent or control postpartum or postabortion hemorrhage, and to assess fetal status in high risk pregnancies. They may also be used alone or with other drugs to induce abortions (ABORTIFACIENTS). Oxytocics used clinically include the neurohypophyseal hormone OXYTOCIN and certain prostaglandins and ergot alkaloids. (From AMA Drug Evaluations, 1994, p1157)

Supplier Location

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