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3-NITRO-5-PHENYLACETYLCATECHOL

3-NITRO-5-PHENYLACETYLCATECHOL structure

CAS No:
274925-86-9
Formula:
C14H11NO5
Chemical Name:
3-NITRO-5-PHENYLACETYLCATECHOL
Synonyms:
3-NITRO-5-PHENYLACETYL CATECHOL;Nebicapone;Bia 3-202;Ethanone, 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenyl-

Description

Nebicapone is under investigation in clinical trial NCT03097211 (Effect of BIA 6-512 at Steady-state on the Levodopa Pharmacokinetics With a Single-dose of Levodopa/Benserazide 200/50 mg or With a Single-dose of Levodopa/Benserazide 200/50 mg Plus a Single-dose of Nebicapone 150 mg).

3-NITRO-5-PHENYLACETYLCATECHOL Basic Attributes

Molecular Weight：

273.24

Exact Mass：

273.06372245

UNII：

NM2KXJ990T

DSSTox ID：

DTXSID30181912

Characteristics

PSA：

103.35000

XLogP3：

2.95460

Density：

1.435±0.06 g/cm3

Melting Point：

178–179°C

Boiling Point：

454.2±45.0 °C(Predicted)

PKA：

5.01±0.38

Drug Information

MeSH Entry Terms：

1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone

Computed Properties

Molecular Weight:273.24
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:273.06372245
Monoisotopic Mass:273.06372245
Topological Polar Surface Area:103
Heavy Atom Count:20
Complexity:361
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-NITRO-5-PHENYLACETYLCATECHOL

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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