Epinastine hydrochloride

C16H16ClN3CAS 80012-44-8285.78 g/mol

Open in Covalent MOL file
HClHNHNN
Guanidine

Properties

Molecular formula
C16H16ClN3
Molar mass
285.78 g/mol
Exact mass
285.1033 Da
Melting point
273–275 °C
logP
3.10Crippen estimate
Polar surface area
39.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
80012-44-8
SMILES
Cl.N=C1NCC2c3ccccc3Cc3ccccc3N12
InChIKey
VKXSGUIOOQPGAF-UHFFFAOYSA-N
InChI
InChI=1S/C16H15N3.ClH/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16;/h1-8,15H,9-10H2,(H2,17,18);1H

Weigh it out

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

Names and synonyms

5 names
  • 1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine, 9,13b-dihydro-, hydrochloride (1:1)
  • 1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine, 9,13b-dihydro-, monohydrochloride
  • WAL 801CL
  • Alesion
  • Elestat

Work with Epinastine hydrochloride

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.

Epinastine80012-43-7Free base Epinastine hydrochloride108929-04-0

Similar compounds

Mianserin hydrochloride21535-47-744 % similar 2,3,4,5-Tetrahydro-1H-1,5-methanobenzo[d]azepine hydrochloride230615-52-830 % similar Eslicarbazepine104746-04-530 % similar Licarbazepine29331-92-830 % similar 1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride49800-23-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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