Epinastine

C16H15N3CAS 80012-43-7249.32 g/mol

Open in Covalent MOL file
HNHNN
Guanidine

Properties

Molecular formula
C16H15N3
Molar mass
249.32 g/mol
Exact mass
249.1266 Da
Melting point
205–208 °C
logP
2.68Crippen estimate
Polar surface area
39.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number
80012-43-7
SMILES
N=C1NCC2c3ccccc3Cc3ccccc3N12
InChIKey
WHWZLSFABNNENI-UHFFFAOYSA-N
InChI
InChI=1S/C16H15N3/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)

Weigh it out

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

Names and synonyms

4 names
  • 1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine, 9,13b-dihydro-
  • 9,13b-Dihydro-1H-dibenz[c,f]imidazo[1,5-a]azepin-3-amine
  • WAL 801
  • (±)-Epinastine

Work with Epinastine

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.

Epinastine hydrochloride80012-44-8Salt Epinastine hydrochloride108929-04-0Salt

Similar compounds

Mianserin hydrochloride21535-47-738 % similar Eslicarbazepine104746-04-532 % similar Licarbazepine29331-92-832 % similar 6,11-Dihydro-5H-dibenz[b,e]azepine-6-methanamine41218-84-231 % similar 10,11-Dihydrocarbamazepine3564-73-630 % similar 2-[(6,11-Dihydro-5H-dibenz[b,e]azepin-6-yl)methyl]-1H-isoindole-1,3(2H)-dione143878-20-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook