Methenamine hippurate

C15H21N5O3CAS 5714-73-8319.37 g/mol

Open in Covalent MOL file
NNNNOHONHO
Carboxylic acidTertiary amine

Properties

Molecular formula
C15H21N5O3
Molar mass
319.37 g/mol
Exact mass
319.1644 Da
logP
0.06Crippen estimate
Polar surface area
82.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
5714-73-8
SMILES
C1N2CN3CN1CN(C2)C3.O=C(O)CN=C(O)c1ccccc1
InChIKey
ROAIXOJGRFKICW-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3.C6H12N4/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-5H,6H2,(H,10,13)(H,11,12);1-6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • Glycine, N-benzoyl-, compd. with 1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane (1:1)
  • Hippuric acid, compd. with hexamethylenetetramine (1:1)
  • Hexamethylenetetramine, monohippurate
  • 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, compd. with N-benzoylglycine (1:1)
  • Hexamethylenetetramine hippurate
  • Hippramine
  • Hiprex
  • Haiprex
  • Viapta
  • Hexamethylenetetramine hippuric acid complex
  • R-657
  • Urex
  • Hexamine hippurate

Work with Methenamine hippurate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Hippuric acid495-69-2Free acid Hexamethylenetetramine100-97-0Free base Methenamine mandelate587-23-5Salt Sodium hippurate532-94-5Salt 4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine ethyl ester N-benzoylglycine salt1137608-69-5Salt

Similar compounds

3-Methylhippuric acid27115-49-763 % similar Betamipron3440-28-662 % similar Nicotinuric acid583-08-460 % similar Salicyluric acid487-54-755 % similar ((3-(Trifluoromethyl)benzoyl)amino)acetic acid17794-48-855 % similar N-(2-Iodobenzoyl)glycine147-58-054 % similar Methylhippuric acid42013-20-754 % similar Phenylacetylglycine500-98-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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