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Hydrastinine hydrochloride

CAT: 0931-T1607-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T1607-01Size:10 mg
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CAS Number
4884-68-8
Target
Others
Related Pathways
Others
Bioactivity
Hydrastinine hydrochloride is a semisynthetic alkaloid from the hydrolysis of the alkaloid Hydrastine, used as a haemostatic drug.
Smiles
Cl.CN1CCc2cc3OCOc3cc2C1O
Molecular Formula
C11H12ClNO2
Molecular Weight
225.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hydrastinine Hydrochloride
CAS Number4884-68-8
PubChem CID71833
IUPAC Name6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol;hydrochloride
Molecular FormulaC11H14ClNO3
Molecular Weight243.68
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity248
SMILES
CN1CCC2=CC3=C(C=C2C1O)OCO3.Cl
InChI
InChI=1S/C11H13NO3.ClH/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13;/h4-5,11,13H,2-3,6H2,1H3;1H
InChIKey
DLNQCQJCIITVHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydrastinine Hydrochloride
CAS: 4884-68-8
CID: 71833
Formula: C11H14ClNO3
MW: 243.68
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight243.68
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass243.0662210
Monoisotopic Mass243.0662210
Topological Polar Surface Area41.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity248
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

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