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Lochneridine

CAT: 0013-GTR19223354-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223354-01Size:100 mg
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Description
Lochneridine is a bioactive indole alkaloid used in biochemical research. It serves as a reference standard and investigational tool in pharmacological studies, particularly for exploring its potential biological activities in vitro.
CAS Number
5980-01-8
Smiles
C (OC) (=O) C1=C2[C@@]3 ([C@]4 (N (CC3) C[C@@] (CC) (O) [C@@]1 (C4) [H]) [H]) C=5C (N2) =CC=CC5
Molecular Formula
C20H24N2O3
Molecular Weight
340.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lochneridine
CAS Number5980-01-8
PubChem CID10860758
IUPAC Namemethyl (1R,11R,12S,17S)-12-ethyl-12-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Molecular FormulaC20H24N2O3
Molecular Weight340.4
XLogP2
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity647
SMILES
CC[C@]1(CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C(=O)OC)O
InChI
InChI=1S/C20H24N2O3/c1-3-19(24)11-22-9-8-20-12-6-4-5-7-14(12)21-17(20)16(18(23)25-2)13(19)10-15(20)22/h4-7,13,15,21,24H,3,8-11H2,1-2H3/t13-,15+,19-,20-/m1/s1
InChIKey
DGKIJZKKTDPACC-CTNSEHHHSA-N
Chemical Structure
2D Structure
2D structure of Lochneridine
CAS: 5980-01-8
CID: 10860758
Formula: C20H24N2O3
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass340.17869263
Monoisotopic Mass340.17869263
Topological Polar Surface Area61.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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