Indometacin EP Impurity I

CAT: 1299-RM-I140409-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I140409-01Size:10 mg

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CAS Number

16401-99-3

Synonyms

Ethyl 2- (1- (4-chlorobenzoyl) -5-methoxy-2-methyl-1H-indol-3-yl) acetate

Molecular Formula

C21H20ClNO4

Molecular Weight

385.84

Target Alternative Name

Indometacin

Product Name Synonym

Ethyl 2- (1- (4-chlorobenzoyl) -5-methoxy-2-methyl-1H-indol-3-yl) acetate

Chemical Information

Ethyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate

structure in first source

CAS Number	16401-99-3
PubChem CID	27861
IUPAC Name	ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Molecular Formula	C21H20ClNO4
Molecular Weight	385.8
XLogP	5
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	534

SMILES

CCOC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H20ClNO4/c1-4-27-20(24)12-17-13(2)23(19-10-9-16(26-3)11-18(17)19)21(25)14-5-7-15(22)8-6-14/h5-11H,4,12H2,1-3H3

InChIKey

COIRSVPTDJIIKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16401-99-3

CID: 27861

Formula: C21H20ClNO4

MW: 385.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	385.8
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	385.1080858
Monoisotopic Mass	385.1080858
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	534
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-I140405-01	Indometacin EP Impurity E
RM-I140402-01	Indometacin EP Impurity B
RM-I140410-01	Indometacin EP Impurity J
RM-I140408-01	Indometacin EP Impurity H
RM-I140407-01	Indometacin EP Impurity G
RM-I140406-01	Indometacin EP Impurity F
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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