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Alverine Citrate

CAT: 0024-sc-210792Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-210792Size:5 g
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CAS Number
5560-59-8

Chemical Information

Alverine Citrate

Alverine citrate is the citrate salt of alverine, resulting from the reaction of equimolar amounts of alvarine and citric acid. An antispasmodic that acts directly on intestinal and uterine smooth muscle, it is used in the treatment of irritable bowel syndrome. It has a role as a cholinergic antagonist and an antispasmodic drug. It is an organoammonium salt and a citrate salt. It contains an alverine(1+).

CAS Number5560-59-8
PubChem CID21718
IUPAC NameN-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC26H35NO7
Molecular Weight473.6
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count34
Formal Charge0
Complexity442
SMILES
CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
RYHCACJBKCOBTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alverine Citrate
CAS: 5560-59-8
CID: 21718
Formula: C26H35NO7
MW: 473.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass473.24135246
Monoisotopic Mass473.24135246
Topological Polar Surface Area135 Ų
Heavy Atom Count34
Formal Charge0
Complexity442
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

Related Products

CatalogName
sc-217617Alverine-d5 Citrate
sc-2100474-Hydroxy Alverine
sc-2168524-Hydroxy Alverine-d5
sc-2168514-Hydroxy Alverine β-D-Glucuronide
sc-491899Triammonium citrate
sc-251320Triethyl citrate
sc-229587Trimethyl citrate
sc-203538Carbetapentane citrate
sc-229587ATrimethyl citrate
sc-476268Piperazine citrate

Alternative Products

CatalogName
MBS575429Alverine citrate
HY-B0500-01Alverine (citrate)
QYB32700Alverine-d5 citrate
HY-B0500AS-01Alverine-d5 (citrate)
A16396-5000Alverine Citrate 5g
HY-B0500R-01Alverine (citrate) (Standard)
A16396-10000Alverine Citrate 10g
A16396-500Alverine Citrate 500mg

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