Deacetyldiltiazem
-
Deacetyldiltiazem
structure -
-
CAS No:
42399-40-6
-
Formula:
C20H24N2O3S
-
Chemical Name:
Deacetyldiltiazem
-
Synonyms:
1,5-Benzothiazepin-4(5H)-one,5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-,(2S,3S)-;1,5-Benzothiazepin-4(5H)-one,5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-,(2S-cis)-;(2S,3S)-5-[2-(Dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one;Desacetyldiltiazem;Deacetyldiltiazem;Deacetyl-d-diltiazem;91602-22-1
-
CAS No:
Characteristics
78.31000
2.86270
off-white to pale yellow solid
1.225g/cm3
86-87 °C
596.8ºC at 760mmHg
314.8ºC
1.609
Hygroscopic, Refrigerator, Under Inert Atmosphere
186.3 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P264, P270, P281, P301+P312, P305+P351+P338, P308+P313, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:372.5
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:372.15076381
Monoisotopic Mass:372.15076381
Topological Polar Surface Area:78.3
Heavy Atom Count:26
Complexity:468
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation