chempirical

Alverine citrate

C26H35NO7CAS 5560-59-8473.57 g/mol

Open in Covalent MOL file
NOHOOHOOHOHO
AlcoholCarboxylic acidTertiary amine

Properties

Molecular formula
C26H35NO7
Molar mass
473.57 g/mol
Exact mass
473.2414 Da
logP
3.33Crippen estimate
Polar surface area
135.4 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
14

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, P501

Identifiers

CAS number
5560-59-8
SMILES
CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
RYHCACJBKCOBTJ-UHFFFAOYSA-N
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)

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzenepropanamine, N-ethyl-N-(3-phenylpropyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Dipropylamine, N-ethyl-3,3′-diphenyl-, citrate (1:1)
  • Gamatran citrate
  • Spacolin
  • Antispasmin
  • Prophelan
  • Gamatran
  • Proverine
  • Spasmonal
  • Spasmaverine
  • Profenine
  • Calmabel
  • NSC 35459

Work with Alverine citrate

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.

2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-1Hydrate Citric acid77-92-9Free acid Trisodium citrate68-04-2Salt Potassium citrate866-84-2Salt Ammonium ferric citrate1185-57-5Salt Calcium citrate813-94-5Salt Disodium citrate144-33-2Salt Monosodium citrate18996-35-5Salt Piperazine citrate144-29-6Salt Triammonium citrate3458-72-8Salt Aluminium citrate31142-56-0Salt Clostilbegit50-41-9Salt

Similar compounds

3-Benzyl-3-methylpentanoic acid53663-16-442 % similar 4-Phenylbutyric acid1821-12-142 % similar Benzenepentanoic acid2270-20-441 % similar 9-Phenylnonanoic acid16269-06-040 % similar 8-Phenyloctanoic acid26547-51-340 % similar 7-Phenyl heptanoic acid40228-90-840 % similar Benzenepentadecanoic acid40228-93-140 % similar 6-Phenylhexanoic acid5581-75-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Naftidrofuryl oxalate3200-06-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook