Pyrrolidine, 1-[4-(4-chlorophenyl)-3-phenyl-2-butenyl]-, phosphate (1:2)
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![Pyrrolidine, 1-[4-(4-chlorophenyl)-3-phenyl-2-butenyl]-, phosphate (1:2) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5cc385f5b2dd40d79608c89d6fa47191.png "Pyrrolidine, 1-[4-(4-chlorophenyl)-3-phenyl-2-butenyl]-, phosphate (1:2)")
Pyrrolidine, 1-[4-(4-chlorophenyl)-3-phenyl-2-butenyl]-, phosphate (1:2)
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CAS No:
135-31-9
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Formula:
C20H22ClN.2H3O4P
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Chemical Name:
Pyrrolidine, 1-[4-(4-chlorophenyl)-3-phenyl-2-butenyl]-, phosphate (1:2)
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Synonyms:
Pyrrolidine,1-[4-(4-chlorophenyl)-3-phenyl-2-butenyl]-,phosphate (1:2);Pyrrolidine,1-[γ-(p-chlorobenzyl)cinnamyl]-,phosphate (1:2);Pyrrolidine,1-[γ-(p-chlorobenzyl)cinnamyl]-,diphosphate;1-[γ-(p-Chlorobenzyl)cinnamyl]pyrrolidine diphosphate;1-[4-(p-Chlorophenyl)-3-phenyl-2-butenyl]pyrrolidine Diphosphate;1-p-Chlorophenyl-2-phenyl-4-pyrrolidyl-2-butene diphosphate;Pyronil;Pyrrobutamine phosphate;Proladyl
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CAS No:
Pyrrolidine, 1-[4-(4-chlorophenyl)-3-phenyl-2-butenyl]-, phosphate (1:2) Basic Attributes
507.838742
507.0978685 g/mol
205-185-3
6B6107K1Q6
Characteristics
178.38000
3.14260
129-130 °C
441.8ºC
221ºC
5.3E-08mmHg at 25°C
LD50 in mice, guinea pigs (mg/kg): 1270 ±156, 1241 ±165 s.c.; 836.8 ±95, 625.6 ±41.9 i.m.; 1116 ±73, 992.6 ±107 orally; in mice (mg/kg): 53.53 ±1.61 i.v. (Lee)
pKa1 8.77, pka2 5.23(at 25℃)
Pyrrolidine, 1-[4-(4-chlorophenyl)-3-phenyl-2-butenyl]-, phosphate (1:2) Use and Manufacturing
Medicine (antihistamine).
Computed Properties
Molecular Weight:507.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:507.0978685
Monoisotopic Mass:507.0978685
Topological Polar Surface Area:159
Heavy Atom Count:32
Complexity:395
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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