Sivelestat Impurity 1

CAT: 1596-AR-S10556-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S10556-03Size:50 Units

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CAS Number

5973-34-2

Molecular Formula

C11H14N2O3

Molecular Weight

222.24

API Name

Sivelestat

Chemical Information

(2-Aminobenzoylamino)acetic acid ethyl ester

CAS Number	5973-34-2
PubChem CID	10822907
IUPAC Name	ethyl 2-[(2-aminobenzoyl)amino]acetate
Molecular Formula	C11H14N2O3
Molecular Weight	222.24
XLogP	1.3
Topological Polar Surface Area	81.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	256

SMILES

CCOC(=O)CNC(=O)C1=CC=CC=C1N

InChI

InChI=1S/C11H14N2O3/c1-2-16-10(14)7-13-11(15)8-5-3-4-6-9(8)12/h3-6H,2,7,12H2,1H3,(H,13,15)

InChIKey

PYPBUPAGDWNOKB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5973-34-2

CID: 10822907

Formula: C11H14N2O3

MW: 222.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.24
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	222.10044231
Monoisotopic Mass	222.10044231
Topological Polar Surface Area	81.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	256
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

Catalog	Name
AR-S10557-01	Sivelestat Impurity 3
AR-S10559-01	Sivelestat Impurity 5
AR-S10558-01	Sivelestat Impurity 4
AR-S10562-01	Sivelestat Impurity 2
AR-S10555-01	Sivelestat
AR-S10560-01	Sivelestat-d4
AR-S10563-01	Sivelestat-d9
AR-S10561-01	Sivelestat Sodium Salt
AR-B01168-01	Benidipine Impurity 5 (Nifedipine Impurity 1)
AR-N01491-01	Nifedipine Impurity 1 (Benidipine Impurity 5)

Catalog	Name
RM-S221203-01	Sivelestat Sodium Impurity C
RM-S221219-01	Sivelestat Sodium Impurity 19
RM-S221202-01	Sivelestat Sodium Impurity B
RM-S221229-01	Sivelestat Sodium Impurity 29
RM-S221208-01	Sivelestat Sodium Impurity 8
RM-S221215-01	Sivelestat Sodium Impurity 15
RM-S221214-01	Sivelestat Sodium Impurity 14
RM-S221212-01	Sivelestat Sodium Impurity 12
RM-S221233-01	Sivelestat Sodium Impurity 33
RM-S221232-01	Sivelestat Sodium Impurity 32