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Stylopine hydrochloride

CAT: 1568-C14066-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C14066-1mgSize:1 mg
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CAS Number
96087-21-7
Synonyms
Tetrahydrocoptisine hydrochloride, Coptisine hydrochloride
Target
Immunology & Inflammation related
Applications
Immunology & Inflammation
Smiles
C1C[NH+]2CC3=C (CC2C4=CC5=C (C=C41) OCO5) C=CC6=C3OCO6.[Cl-]
Molecular Formula
C19H18ClNO4
Additionnal Information
Stylopine (Tetrahydrocoptisine, Coptisine), a major component of the leaf of Chelidonium majus L., is a protoberberine-type alkaloid that has potential biological activities, including anti-inflammatory activity.
Storage Conditions
3 years -20°C powder

Chemical Information

Stylopine hydrochloride
CAS Number96087-21-7
PubChem CID131864060
IUPAC Name5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene;hydrochloride
Molecular FormulaC19H18ClNO4
Molecular Weight359.8
Topological Polar Surface Area40.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity502
SMILES
C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6.Cl
InChI
InChI=1S/C19H17NO4.ClH/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14;/h1-2,6-7,15H,3-5,8-10H2;1H
InChIKey
WZUQSTMUNWBERD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Stylopine hydrochloride
CAS: 96087-21-7
CID: 131864060
Formula: C19H18ClNO4
MW: 359.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight359.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass359.0924357
Monoisotopic Mass359.0924357
Topological Polar Surface Area40.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes