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(2S,3R)-3-(3,4-dihydroxyphenyl)-2-[3-(4-fluorophenyl)propylamino]-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one,hydrobromide

(2S,3R)-3-(3,4-dihydroxyphenyl)-2-[3-(4-fluorophenyl)propylamino]-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one,hydrobromide structure

CAS No:
142784-65-4
Formula:
C22H28BrFN2O4
Chemical Name:
(2S,3R)-3-(3,4-dihydroxyphenyl)-2-[3-(4-fluorophenyl)propylamino]-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one,hydrobromide

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(2S,3R)-3-(3,4-dihydroxyphenyl)-2-[3-(4-fluorophenyl)propylamino]-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one,hydrobromide Basic Attributes

Molecular Weight：

483.37100

Exact Mass：

482.12165 g/mol

DSSTox ID：

DTXSID90162181

Characteristics

PSA：

93.03000

XLogP3：

3.77060

Boiling Point：

661.1ºC

Flash Point：

353.6ºC

Vapor Pressure：

2.22E-18mmHg at 25°C

Drug Information

MeSH Entry Terms：

3-(3,4-dihydroxyphenyl)-N-(3-(4-fluorophenyl)propyl)serine pyrrolidine amide hydrobromide

Computed Properties

Molecular Weight:483.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:482.12165
Monoisotopic Mass:482.12165
Topological Polar Surface Area:93
Heavy Atom Count:30
Complexity:509
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of (2S,3R)-3-(3,4-dihydroxyphenyl)-2-[3-(4-fluorophenyl)propylamino]-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one,hydrobromide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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