chempirical

Mequitazine

C20H22N2SCAS 29216-28-2322.47 g/mol

Open in Covalent MOL file
SNN
SulfideTertiary amine

Properties

Molecular formula
C20H22N2S
Molar mass
322.47 g/mol
Exact mass
322.1504 Da
Melting point
130.5 °C
logP
4.63Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
29216-28-2
SMILES
c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2
InChIKey
HOKDBMAJZXIPGC-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2

Weigh it out

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

Names and synonyms

14 names · show all
  • 10H-Phenothiazine, 10-(1-azabicyclo[2.2.2]oct-3-ylmethyl)-
  • Phenothiazine, 10-(3-quinuclidinylmethyl)-
  • 10-(1-Azabicyclo[2.2.2]oct-3-ylmethyl)-10H-phenothiazine
  • LM 209
  • Nipolazin
  • Mircol
  • Metaplexan
  • Zesulan
  • Primalan
  • Butix
  • NSC 303612
  • Quitadrill
  • 10-(1-Azabicyclo[2.2.2]octan-3-ylmethyl)phenothiazine
  • 10-(Quinuclidin-3-ylmethyl)phenothiazine

Work with Mequitazine

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

Similar compounds

(±)-Promethazine60-87-749 % similar (±)-Trimeprazine84-96-848 % similar Mepazine hydrochloride2975-36-247 % similar Promethazine hydrochloride58-33-345 % similar Promazine hydrochloride53-60-141 % similar 10-Methylphenothiazine1207-72-338 % similar Trimeprazine tartrate4330-99-837 % similar Sodium 3-(10H-phenothiazin-10-yl)propane-1-sulfonate101199-38-637 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook