Indometacin EP Impurity E

CAT: 1299-RM-I140405-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I140405-02Size:25 mg

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CAS Number

807614-94-4

Synonyms

2- (1- (3-chlorobenzoyl) -5-methoxy-2-methyl-1H-indol-3-yl) acetic acid

Molecular Formula

C19H16ClNO4

Molecular Weight

357.79

Target Alternative Name

Indometacin

Product Name Synonym

2- (1- (3-chlorobenzoyl) -5-methoxy-2-methyl-1H-indol-3-yl) acetic acid

Chemical Information

[1-(3-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid

CAS Number	807614-94-4
PubChem CID	12049649
IUPAC Name	2-[1-(3-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Molecular Formula	C19H16ClNO4
Molecular Weight	357.8
XLogP	4.3
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	514

SMILES

CC1=C(C2=C(N1C(=O)C3=CC(=CC=C3)Cl)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)6-7-17(16)21(11)19(24)12-4-3-5-13(20)8-12/h3-9H,10H2,1-2H3,(H,22,23)

InChIKey

PXXTUBBLCCJTKH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 807614-94-4

CID: 12049649

Formula: C19H16ClNO4

MW: 357.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	357.8
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	357.0767857
Monoisotopic Mass	357.0767857
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	514
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
RM-I140403-01	Indometacin EP Impurity C
RM-I140404-01	Indometacin EP Impurity D
RM-I140402-01	Indometacin EP Impurity B
RM-I140406-01	Indometacin EP Impurity F
RM-I140409-01	Indometacin EP Impurity I
RM-I140410-01	Indometacin EP Impurity J
RM-I140408-01	Indometacin EP Impurity H
RM-I140407-01	Indometacin EP Impurity G
RM-I140400-01	Indometacin; Acemetacin EP Impurity B
RM-I140401-01	Indometacin EP Impurity A; Bezafibrate EP Impurity B; Acemetacin EP Impurity A; Clopamide EP Impurity B

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