Azilsartan Impurity D

CAT: 1596-AR-A03153-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A03153-02Size:25 Units

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CAS Number

1821386-21-3

Synonyms

(Z) -3- ((2'- (N'-hydroxycarbamimidoyl) -[1,1'-biphenyl]-4-yl) methyl) -2-oxo-2,3-dihydro-1H-benzo[d]imidazole-4-carboxylic acid; (Z) -3- ((2'- (n'-hydroxycarbamimidoyl) -[1,1'-biphenyl]-4-yl) methyl) -2-oxo-2,3-dihydro-1H-benzo[d]imidazole-4-carboxylic acid;3-[[2'- (N'-Hydroxyamidino) -4-biphenylyl]methyl]-2-oxo-2,3-dihydro-1H-benzoimidazole-4-carboxylic acid

Molecular Formula

C22H18N4O4

Molecular Weight

402.41

API Name

Azilsartan

Chemical Information

(Z)-3-((2'-(n'-hydroxycarbamimidoyl)-[1,1'-biphenyl]-4-yl)methyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-4-carboxylic acid

CAS Number	1821386-21-3
PubChem CID	145709346
IUPAC Name	3-[[4-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]-2-oxo-1H-benzimidazole-4-carboxylic acid
Molecular Formula	C22H18N4O4
Molecular Weight	402.4
XLogP	2.5
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	676

SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C4=C(C=CC=C4NC3=O)C(=O)O)/C(=N/O)/N

InChI

InChI=1S/C22H18N4O4/c23-20(25-30)16-5-2-1-4-15(16)14-10-8-13(9-11-14)12-26-19-17(21(27)28)6-3-7-18(19)24-22(26)29/h1-11,30H,12H2,(H2,23,25)(H,24,29)(H,27,28)

InChIKey

CBCHFCGMELDPDV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1821386-21-3

CID: 145709346

Formula: C22H18N4O4

MW: 402.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	402.4
XLogP3	2.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	402.13280507
Monoisotopic Mass	402.13280507
Topological Polar Surface Area	128 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	676
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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RM-A262536-01	Azilsartan Impurity 136
RM-A262555-01	Azilsartan Impurity 155
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Azilsartan Impurity D

Chemical Information

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