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58-40-2

58-40-2 structural image
Product Name: Promazine
Formula: C17H20N2S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Oily liq
Odor Amine odor
Boiling Point 203-210 °C at 3.00E-01 mm Hg
Melting Point < 25 °C
Solubility 14.2 mg/L (at 24 °C)
LogP 4.55
LogS -4.3
Stability/Shelf Life Promazine HCl is maximally stable at pH 6.5 /Promazine HCl/
Decomposition When heated to decomposition it emits very toxic fumes of nitroxides and sulfoxides.
pH Alkaline reaction
Dissociation Constants 9.28
Collision Cross Section 161.5 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index 2329 2304.5 2315 2327 2367 2326 2310 2316 2342.2 2318.8 2325.1 2325.1 2313 2330 2335 2316 2338.9
Other Experimental Properties Decomp at 181 °C (microblock); Hygroscopic; Aq soln are slightly acid to litmus /Hydrochloride/

COMPUTED DESCRIPTORS

Molecular Weight 284.4 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 284.13471982 g/mol
Monoisotopic Mass 284.13471982 g/mol
Topological Polar Surface Area 31.8 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 285
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Promazine is a phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position. It has a role as a dopaminergic antagonist, a H1-receptor antagonist, a muscarinic antagonist, a serotonergic antagonist, a phenothiazine antipsychotic drug, an antiemetic and an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor. It is a member of phenothiazines and a tertiary amine.