Mequitazine

C₂₀H₂₂N₂SCAS 29216-28-2322.47 g/mol

Open in Covalent MOL file

Sulfide Tertiary 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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed66.7% of notifiers
H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation16.7% of notifiers
H317 May cause an allergic skin reaction16.7% of notifiers
H318 Causes serious eye damage16.7% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H411 Toxic to aquatic life with long lasting effects16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P362+P364, P391, P405, P501

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