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42399-40-6

42399-40-6 structural image
Product Name: Deacetyldiltiazem
Formula: C20H24N2O3S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 186.3 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

COMPUTED DESCRIPTORS

Molecular Weight 372.5 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 372.15076381 g/mol
Monoisotopic Mass 372.15076381 g/mol
Topological Polar Surface Area 78.3 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 468
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Deacetyldiltiazem is a benzothiazepine.

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