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Quinazolinedione

Quinazolinedione structure

CAS No:
86-96-4
Formula:
C8H6N2O2
Chemical Name:
Quinazolinedione
Synonyms:
2,4(1H,3H)-Quinazolinedione;Benzoyleneurea;Urea,benzoylene-;Quinazolinedione;1,2,3,4-Tetrahydroquinazoline-2,4-dione;2,4-Dihydroxyquinazoline;Quinazoline-2,4-dione;Benzouracil;2,4-Dioxotetrahydroquinazoline;2,4-Quinazolinediol;1,2,3,4-Tetrahydro-2,4-dioxoquinazoline;NSC 2108;y-Thymine;yT;2-Hydroxy-3,4-dihydroquinazolin-4-one;2760-01-2;33080-96-5
Categories:
Pharmaceutical Intermediates > Antineoplastics

Description

Benzoyleneurea possesses anti-bacterial activity. Benzoyleneurea scaffold can be used in the synthesis of novel protein geranylgeranyltransferase-I (PGGTase-I) inhibitors[1].

Quinazolinedione Basic Attributes

Molecular Weight：

162.15

Exact Mass：

162.15

BRN：

383776

EC Number：

201-712-6

UNII：

18K00A531C

NSC Number：

2108

DSSTox ID：

DTXSID30235343

HScode：

2933990090

Characteristics

PSA：

58.2

XLogP3：

0.8

Appearance：

white to light pink fluffy powder

Density：

1.3±0.1 g/cm3

Melting Point：

300 °C

Boiling Point：

491.9ºC at 760 mmHg

Refractive Index：

1.587

Water Solubility：

ammonium hydroxide: soluble 10mg/mL

Safety Information

wgk germany：

safety instructions：

24/25-22

RTECS Number：

VA1390000

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2,4(1H,3H)-quinazolinedione

Quinazolinedione Use and Manufacturing

Uses

Organic synthesis intermediate.

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

Fenazaquin metabolite NN5 is a known environmental transformation product of Fenazaquin.

Computed Properties

Molecular Weight:162.15
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:162.042927438
Monoisotopic Mass:162.042927438
Topological Polar Surface Area:58.2
Heavy Atom Count:12
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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