Promethazine hydrochloride

C₁₇H₂₁ClN₂SCAS 58-33-3320.88 g/mol

Open in Covalent MOL file

Sulfide Tertiary amine

Properties

Molecular formula: C₁₇H₂₁ClN₂S
Molar mass: 320.88 g/mol
Exact mass: 320.1114 Da
Melting point: 230–232 °C
Water solubility: ≥ 100 g/L (22.2 °C)
logP: 4.66Crippen estimate
Polar surface area: 6.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed92.3% of notifiers
H315 Causes skin irritation78.9% of notifiers
H317 May cause an allergic skin reaction96.5% of notifiers
H318 Causes serious eye damage20.4% of notifiers
H319 Causes serious eye irritation78.2% of notifiers
H332 Harmful if inhaled76.8% of notifiers
H335 May cause respiratory irritation78.2% of notifiers
H411 Toxic to aquatic life with long lasting effects97.2% of notifiers

Aggregated from 142 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+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

58-33-3

SMILES

CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl

InChIKey

XXPDBLUZJRXNNZ-UHFFFAOYSA-N

InChI

InChI=1S/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H

Weigh it out

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

Names and synonyms

40 names · show all

10H-Phenothiazine-10-ethanamine, N,N,α-trimethyl-, hydrochloride (1:1)
Phenothiazine, 10-[2-(dimethylamino)propyl]-, monohydrochloride
10H-Phenothiazine-10-ethanamine, N,N,α-trimethyl-, monohydrochloride
10-[2-(Dimethylamino)propyl]phenothiazine hydrochloride
Plletia
Phenergan
Promethazine chloride
Promethazine monohydrochloride
Atosil
Fenergan
Diprazin
Pipolfen
Diprasine
Romergan
Pipolphen
Romergan hydrochloride
Kinetosin
Pyrethia
Promethazinium chloride
Phena
Promasun
Hiberna
Phencen
Dorme
Phenergan VC
Fellozine
Remsed
Lergigan
Genphen
Prorex
Fenazil
Anergan 25
Anergan 50
Duplamin
Prothazine
Mepergan
Provigan
Phanergan D
NSC 231688
Himazin

Work with Promethazine 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.

(±)-Promethazine60-87-7Free base

Similar compounds

(±)-Trimeprazine84-96-856 % similar Mepazine hydrochloride2975-36-254 % similar Dioxopromethazine13754-56-853 % similar Mequitazine29216-28-245 % similar Trimeprazine tartrate4330-99-843 % similar 10-Methylphenothiazine1207-72-343 % similar Chlorpromazine hydrochloride69-09-042 % similar Thioridazine hydrochloride130-61-039 % similar

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

Same formula

Promazine hydrochloride53-60-1

Elsewhere

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