Lifitegrast Impurity 33 HCl

CAT: 1596-AR-L07235-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07235-01Size:10 Units

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

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CAS Number

2049127-84-4

Molecular Formula

C11H15NO4S. HCl

Molecular Weight

257.30 36.46

API Name

Lifitegrast

Chemical Information

(R)-Methyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride

CAS Number	2049127-84-4
PubChem CID	127255370
IUPAC Name	methyl (2R)-2-amino-3-(3-methylsulfonylphenyl)propanoate;hydrochloride
Molecular Formula	C11H16ClNO4S
Molecular Weight	293.77
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	360

SMILES

COC(=O)[C@@H](CC1=CC(=CC=C1)S(=O)(=O)C)N.Cl

InChI

InChI=1S/C11H15NO4S.ClH/c1-16-11(13)10(12)7-8-4-3-5-9(6-8)17(2,14)15;/h3-6,10H,7,12H2,1-2H3;1H/t10-;/m1./s1

InChIKey

VUUYKOLKOIYVCR-HNCPQSOCSA-N

Chemical Structure

2D Structure

CAS: 2049127-84-4

CID: 127255370

Formula: C11H16ClNO4S

MW: 293.77

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.77
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	293.0488569
Monoisotopic Mass	293.0488569
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	360
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes