Methenamine Mandelate
Basic information
- CAS
587-23-5- Standard SMILES
C1N2CN3CN1CN(C2)C3.O=C(O)C(O)c1ccccc1- InChIKey
UXNFIJPHRQEWRQ-UHFFFAOYSA-N- Molecular formula
- C14H20N4O3
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.15354051
Overview
Methenamine Mandelate is an organic salt containing a one to one ratio of methenamine, a heterocyclic organic compound, and mandelic acid, an aromatic alpha hydroxy acid, used in the treatment of urinary tract infections.
Names & identifiers
- Preferred name
- Methenamine Mandelate
- IUPAC
- 2-hydroxy-2-phenylacetic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
- English name
- Methenamine mandelate
- Molecular formula
- C14H20N4O3
- Molecular weight
- 292.33
Names & synonyms
METHENAMINE MANDELATE587-23-5HexydalineHexamine mandelate695N30CINRHexamethylenamine mandelateMethenamine mandelate (USP)Methenamine mandelate [USP]RefChem:55600209-597-4MandelamineHexamethylenetetramine mandelate
Show more names
MandaconHEXAMINEMANDELATEHEXAMINE MANDELATE SALTMETHENAMINE MANDELATE SALTMethenamine Mandelate (200 mg)Methenamine Mandelate (1409604)HEXAMETHYLENETETRAMINE MANDELATE SALT
Hexamine mandelate (JAN)2-hydroxy-2-phenylacetic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane1,3,5,7-Tetraazatricyclo(3.3.1.1(3,7))decane, mono(alpha-hydroxybenzeneacetate)HEXAMINE MANDELATE [JAN]MantropineUromandelinCedulaminDiuramine
Database identifiers
- CAS
587-23-5、6754-75-2- PubChem CID
- 11478
- DTXSID
DTXSID40941180
Properties
Computed structural properties
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 223
Experimental & physicochemical properties
Human DrugsBreast Feeding; Lactation; Anti-Infective Agents, Urinary; Antibacterial Agents
Animal DrugsFDA approved animal drugs -> Active ingredient
Physicochemical properties
- Melting point
- 128 · 128-130°
- Flash point
- 250 ℃ · 250℃
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C8H8O3.C6H12N4/c9-7(8(10)11)6-4-2-1-3-5-6;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-5,7,9H,(H,10,11);1-6H2
- InChIKey
- UXNFIJPHRQEWRQ-UHFFFAOYSA-N
- SMILES
- C1N2CN3CN1CN(C2)C3.OC(C(O)=O)c4ccccc4
- CAS DataBase Reference
- 587 · 587-23-5(CAS DataBase Reference)
- FDA UNII
- 695 N30CINR · 695N30CINR
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - Benzeneacetic acid, .alpha.-hydroxy-, compound with 1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane (1:1): Human health tier I assessment
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Safety data
- wgk
- 3
- hs_code
- 2933690000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Applications
UsesAntibacterial (urinary).
UsesMethenamine Mandelate acts as an antibacterial agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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