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Icilin

Icilin structure

Icilin 

structure
  • CAS No:

    36945-98-9

  • Formula:

    C16H13N3O4

  • Chemical Name:

    Icilin

  • Synonyms:

    2(1H)-Pyrimidinone,3,6-dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-;3,6-Dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-2(1H)-pyrimidinone;AG 3-5;Icilin;1-(2-Hydroxyphenyl)-4-(3-nitrophenyl)-1,2,3,6-tetrahydropyrimidin-2-one

Description

3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one is a C-nitro compound.

Icilin Basic Attributes

311.29

311.29

CS70PZQ4QJ

DTXSID70190442

Characteristics

98.4 Ų

1.415±0.06 g/cm3

594.8±50.0 °C(Predicted)

45.2 [ug/mL]

9.94±0.35

Safety Information

3

20/21/22

26-36

UW7397500

Xn

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

A class of drugs that stimulate sodium influx through cell membrane channels. (See all compounds classified as Sodium Channel Agonists.)|Agents that increase calcium influx into calcium channels of excitable tissues. This causes vasoconstriction in VASCULAR SMOOTH MUSCLE and/or CARDIAC MUSCLE cells as well as stimulation of insulin release from pancreatic islets. Therefore, tissue-selective calcium agonists have the potential to combat cardiac failure and endocrinological disorders. They have been used primarily in experimental studies in cell and tissue culture. (See all compounds classified as Calcium Channel Agonists.)

1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-1,2,3,6-tetrahydropyrimidin-2-one

Computed Properties

Molecular Weight:311.29
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:311.09060590
Monoisotopic Mass:311.09060590
Topological Polar Surface Area:98.4
Heavy Atom Count:23
Complexity:502
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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