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61-00-7

61-00-7 structural image
Product Name: acepromazine
Formula: C19H22N2OS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 230 °C at 5.00E-01 mm Hg
Melting Point < 25 °C
Solubility 9.80e-03 g/L
Collision Cross Section 176.6 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index 2720 2694 2720 2694 2719.8 2713 2735

COMPUTED DESCRIPTORS

Molecular Weight 326.5 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 326.14528450 g/mol
Monoisotopic Mass 326.14528450 g/mol
Topological Polar Surface Area 48.8 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 414
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

Acepromazine is a member of the class of phenothiazines that is 10H-phenothiazine substituted by an acetyl group at position 2 and a 3-(dimethylamino)propyl group at position 10. It has a role as a phenothiazine antipsychotic drug. It is a methyl ketone, an aromatic ketone, a tertiary amino compound and a member of phenothiazines.