Sivelestat Impurity 5

CAT: 1596-AR-S10559-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S10559-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

127373-95-9

Molecular Formula

C21H24N2O7S

Molecular Weight

448.49

API Name

Sivelestat

Chemical Information

Sivelestat Sodium Impurity E

CAS Number	127373-95-9
PubChem CID	10225728
IUPAC Name	[4-[[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
Molecular Formula	C21H24N2O7S
Molecular Weight	448.5
XLogP	3.3
Topological Polar Surface Area	136
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Heavy Atom Count	31
Formal Charge	0
Complexity	747

SMILES

CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)OC

InChI

InChI=1S/C21H24N2O7S/c1-21(2,3)20(26)30-14-9-11-15(12-10-14)31(27,28)23-17-8-6-5-7-16(17)19(25)22-13-18(24)29-4/h5-12,23H,13H2,1-4H3,(H,22,25)

InChIKey

VXISQWMIJBHBNO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 127373-95-9

CID: 10225728

Formula: C21H24N2O7S

MW: 448.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	448.5
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	448.13042228
Monoisotopic Mass	448.13042228
Topological Polar Surface Area	136 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	747
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-S10558-01	Sivelestat Impurity 4
AR-S10562-01	Sivelestat Impurity 2
AR-S10556-01	Sivelestat Impurity 1
AR-S10555-01	Sivelestat
AR-S10560-01	Sivelestat-d4
AR-S10563-01	Sivelestat-d9
AR-S10561-01	Sivelestat Sodium Salt
AR-N01601-01	Nintedanib Impurity 5 (Intedanib Impurity 5)
AR-L01669-01	Limaprost 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