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Leonurine hydrochloride

CAT: 1407-AB1221Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB1221Size:20 mg
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CAS Number
24735-18-0
Purity
98% (HPLC)
Molecular Formula
C14H22ClN3O5
Molecular Weight
347.796

Chemical Information

4-((Diaminomethylidene)amino)butyl 4-hydroxy-3,5-dimethoxybenzoate--hydrogen chloride (1/1)

See also: Leonurine (annotation moved to).

CAS Number24735-18-0
PubChem CID46837042
IUPAC Name4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate;hydrochloride
Molecular FormulaC14H22ClN3O5
Molecular Weight347.79
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity359
SMILES
COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N.Cl
InChI
InChI=1S/C14H21N3O5.ClH/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16;/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17);1H
InChIKey
GHVZIMAVDJZQGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((Diaminomethylidene)amino)butyl 4-hydroxy-3,5-dimethoxybenzoate--hydrogen chloride (1/1)
CAS: 24735-18-0
CID: 46837042
Formula: C14H22ClN3O5
MW: 347.79
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.79
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass347.1247985
Monoisotopic Mass347.1247985
Topological Polar Surface Area129 Ų
Heavy Atom Count23
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N0741A-01Leonurine (hydrochloride)
453632-01Leonurine Hydrochloride
HY-N0741AR-01Leonurine (hydrochloride) (Standard)
300552Leonurine hydrochloride discontinued. See 453632

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