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Seneciphylline, hydrochloride

CAT: 0013-GTR19222805-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222805-01Size:100 mg
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Description
Seneciphylline hydrochloride is a bioactive pyrrolizidine alkaloid used in research. It serves as a reference standard in phytochemical studies and is investigated in vitro for its biological activities and toxicological profile.
CAS Number
1098-44-8
Smiles
O=C/1O[C@]2 ([C@@]3 (N (CC2) CC=C3COC (=O) [C@] (C) (O) C (=C) C\C1=C\C) [H]) [H].Cl
Molecular Formula
C18H24ClNO5
Molecular Weight
369.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Seneciphylline, hydrochloride
CAS Number1098-44-8
PubChem CID6438263
IUPAC Name(1R,4E,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione;hydrochloride
Molecular FormulaC18H24ClNO5
Molecular Weight369.8
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity650
SMILES
C/C=C/1\CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O.Cl
InChI
InChI=1S/C18H23NO5.ClH/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20;/h4-5,14-15,22H,2,6-10H2,1,3H3;1H/b12-4+;/t14-,15-,18-;/m1./s1
InChIKey
WZVHKYDRAYKVHU-ZCPIKUEKSA-N
Chemical Structure
2D Structure
2D structure of Seneciphylline, hydrochloride
CAS: 1098-44-8
CID: 6438263
Formula: C18H24ClNO5
MW: 369.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass369.1343006
Monoisotopic Mass369.1343006
Topological Polar Surface Area76.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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