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Stepharine

CAT: 0926-CAA81021-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-CAA81021-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2810-21-1
Smiles
COC1=C (C2=C3C (CC24C=CC (=O) C=C4) NCCC3=C1) OC
Molecular Formula
C18H19NO3
Molecular Weight
297.3 g/mol
Controlled
No

Chemical Information

Stepharine

Stepharine is an isoquinoline alkaloid with formula C18H19NO3 that is isolated from several species of Stephania. It has a role as a plant metabolite. It is an isoquinoline alkaloid, an aromatic ether, an azaspiro compound, an organic heterotetracyclic compound, a secondary amino compound and an enone.

CAS Number2810-21-1
PubChem CID193686
IUPAC Name(4R)-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
Molecular FormulaC18H19NO3
Molecular Weight297.3
XLogP2.1
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity510
SMILES
COC1=C(C2=C3[C@@H](CC24C=CC(=O)C=C4)NCCC3=C1)OC
InChI
InChI=1S/C18H19NO3/c1-21-14-9-11-5-8-19-13-10-18(6-3-12(20)4-7-18)16(15(11)13)17(14)22-2/h3-4,6-7,9,13,19H,5,8,10H2,1-2H3/t13-/m1/s1
InChIKey
OGJKMZVUJJYWKO-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Stepharine
CAS: 2810-21-1
CID: 193686
Formula: C18H19NO3
MW: 297.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.3
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass297.13649347
Monoisotopic Mass297.13649347
Topological Polar Surface Area47.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity510
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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