Indomethacin EP Impurity B

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CAS Number

2882-15-7

Chemical Information

5-Methoxy-2-methylindole-3-acetic acid

N-Deschlorobenzoyl indomethacin is a member of indole-3-acetic acids.

CAS Number	2882-15-7
PubChem CID	76151
IUPAC Name	2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid
Molecular Formula	C12H13NO3
Molecular Weight	219.24
XLogP	1.9
Topological Polar Surface Area	62.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	269

SMILES

CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)

InChIKey

TXWGINUZLBAKDF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2882-15-7

CID: 76151

Formula: C12H13NO3

MW: 219.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.24
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	219.08954328
Monoisotopic Mass	219.08954328
Topological Polar Surface Area	62.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	269
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-I01520-01	Indomethacin EP Impurity J
AR-I01526-01	Indomethacin EP Impurity G
AR-I01528-01	Indomethacin EP Impurity F
AR-I01529-01	Indomethacin EP Impurity C
AR-I01530-01	Indomethacin EP Impurity H
AR-I01524-01	Indomethacin EP Impurity D
AR-I01525-01	Indomethacin EP Impurity E
AR-I01527-01	Indomethacin EP Impurity I
AR-I03674-01	Indomethacin (Indometacin) EP Impurity H-d4 (Indomethacin Methyl Ester-d4)
AR-I01534-01	Indomethacin Impurity 8

Catalog	Name
CS-EO-02887	Indomethacin Nitroso Impurity 3
CS-EO-01329	N-Nitroso Indomethacin EP Impurity B
T0458-01	Indomethacin
112091	NO-Indomethacin