Securinine

• Catalog Number: ACM5610402
• Product Name: Securinine
• CAS: 5610-40-2
• Category: Heterocyclic Organic Compound
• Synonyms: (6S,11aR,11bS)-9,10,11,11a-Tetrahydro-8H-6,11b-Methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one
• Molecular Weight: 217.26
• Molecular Formula: C₁₃H₁₅NO₂
• InChI: InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m1/s1
• InChI Key: SWZMSZQQJRKFBP-WZRBSPASSA-N
• Melting Point: 140-142 °C
• Density: 1.30±0.1 g/cm³ (20 ºC 760 Torr)
• Complexity: 426
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 3
• Exact Mass: 217.110278721
• Hazard Statements: T,Xn
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: C1CCN2[C@H](C1)[C@]34C[C@H]2C=CC3=CC(=O)O4
• Monoisotopic Mass: 217.110278721
• Physical State: Powder
• Rotatable Bond Count: 0
• Safety Description: 36/37/39-45
• Supplemental Hazard Statements: H302
• Symbol: GHS07
• Topological Polar Surface Area: 29.5 Ų

Custom Q&A

What is the molecular formula of securinine?

The molecular formula of securinine is C13H15NO2.

Where can securinine be found naturally?

Securinine is a natural product found in Flueggea suffruticosa, Flueggea virosa, and other organisms with data available.

What is the molecular weight of securinine?

The molecular weight of securinine is 217.26 g/mol.

What is the IUPAC name of securinine?

The IUPAC name of securinine is (1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.0 1,11 .0 2,7]pentadeca-9,11-dien-13-one.

What is the Canonical SMILES representation of securinine?

The Canonical SMILES representation of securinine is C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4.

What is the InChIKey of securinine?

The InChIKey of securinine is SWZMSZQQJRKFBP-WZRBSPASSA-N.

What is the CAS number for securinine?

The CAS number for securinine is 5610-40-2.

How many hydrogen bond acceptor counts does securinine have?

Securinine has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of securinine?

The topological polar surface area of securinine is 29.5 Ų.

How many defined atom stereocenter counts does securinine have?

Securinine has 3 defined atom stereocenter counts.