Phenytoin Sodium Impurity 7

CAT: 1299-RM-P080507-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P080507-01Size:10 mg

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CAS Number

1189192-83-3

Synonyms

5,5-bis (4-nitrophenyl) imidazolidine-2,4-dione

Molecular Formula

C15H10N4O6

Molecular Weight

342.26

Target Alternative Name

Phenytoin

Product Name Synonym

5,5-bis (4-nitrophenyl) imidazolidine-2,4-dione

Chemical Information

5,5-Bis(4-nitrophenyl)imidazolidine-2,4-dione

CAS Number	1189192-83-3
PubChem CID	42636617
IUPAC Name	5,5-bis(4-nitrophenyl)imidazolidine-2,4-dione
Molecular Formula	C15H10N4O6
Molecular Weight	342.26
XLogP	2.1
Topological Polar Surface Area	150
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	548

SMILES

C1=CC(=CC=C1C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O6/c20-13-15(17-14(21)16-13,9-1-5-11(6-2-9)18(22)23)10-3-7-12(8-4-10)19(24)25/h1-8H,(H2,16,17,20,21)

InChIKey

XDZXKAYRRZCIJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1189192-83-3

CID: 42636617

Formula: C15H10N4O6

MW: 342.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.26
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	342.06003405
Monoisotopic Mass	342.06003405
Topological Polar Surface Area	150 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	548
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes