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Tetrahydro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione

Tetrahydro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione structure

CAS No:
5157-15-3
Formula:
C16H14N4O2
Chemical Name:
Tetrahydro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Synonyms:
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione,tetrahydro-3a,6a-diphenyl-;Glycoluril,3a,6a-diphenyl-;Tetrahydro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione;Diphenylglycoluril;NSC 144422;NSC 87602;41407-08-3

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Description

White to Off-White Solid

Tetrahydro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione Basic Attributes

Molecular Weight：

294.31

Exact Mass：

294.31

UNII：

C15I92344M

NSC Number：

144422|87602

DSSTox ID：

DTXSID80199522

HScode：

2933990090

Characteristics

PSA：

82.26000

XLogP3：

2.63320

Density：

1.35 g/cm3

Melting Point：

390-394 °C @ Solvent: Acetic acid

Boiling Point：

677.1ºC at 760mmHg

Flash Point：

277.6ºC

Refractive Index：

1.643

Storage Conditions：

Refrigerator

Drug Information

MeSH Entry Terms：

diphenylglycoluril

Tetrahydro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione Use and Manufacturing

A bicyclic bis-urea derivative. Studies suggest that it has potential anticonvulsant activity.An impurity found in the synthesis of Phenytoin (D491650).

Computed Properties

Molecular Weight:294.31
XLogP3:1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:294.11167570
Monoisotopic Mass:294.11167570
Topological Polar Surface Area:82.3
Heavy Atom Count:22
Complexity:421
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3a,6a-Diphenylglycouril

CAS No.: 5157-15-3

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Guide of Tetrahydro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
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Tetrahydro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione

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