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Apparicine

CAT: 0013-GTR19228539-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228539-01Size:1 mg
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Description
Apparicine is a monoterpenoid indole alkaloid used as a research tool in life sciences. It serves as a reference standard in phytochemical studies and has been investigated in vitro for its potential biological activities, including interactions with cellular targets.
CAS Number
2122-36-3
Smiles
C=C1C2=C (C=3C (N2) =CC=CC3) C[N@]4C\C (=C\C) \[C@@]1 (CC4) [H]
Molecular Formula
C18H20N2
Molecular Weight
264.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Apparicine

(-)-Apparicine is an alkaloid.

CAS Number2122-36-3
PubChem CID5281349
IUPAC Name(13S,14E)-14-ethylidene-12-methylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene
Molecular FormulaC18H20N2
Molecular Weight264.4
XLogP2.7
Topological Polar Surface Area19
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity439
SMILES
C/C=C\1/CN2CC[C@@H]1C(=C)C3=C(C2)C4=CC=CC=C4N3
InChI
InChI=1S/C18H20N2/c1-3-13-10-20-9-8-14(13)12(2)18-16(11-20)15-6-4-5-7-17(15)19-18/h3-7,14,19H,2,8-11H2,1H3/b13-3-/t14-/m1/s1
InChIKey
LCVACABZTLIWCE-CRAFIKPXSA-N
Chemical Structure
2D Structure
2D structure of Apparicine
CAS: 2122-36-3
CID: 5281349
Formula: C18H20N2
MW: 264.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass264.162648646
Monoisotopic Mass264.162648646
Topological Polar Surface Area19 Ų
Heavy Atom Count20
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T125353-01Apparicine

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