Indometacin EP Impurity H

CAT: 1299-RM-I140408-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I140408-01Size:10 mg

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CAS Number

1601-18-9

Synonyms

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

Molecular Formula

C20H18ClNO4

Molecular Weight

371.81

Target Alternative Name

Indometacin

Product Name Synonym

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

Chemical Information

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

CAS Number	1601-18-9
PubChem CID	15339
IUPAC Name	methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Molecular Formula	C20H18ClNO4
Molecular Weight	371.8
XLogP	4.6
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	520

SMILES

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

InChI

InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3

InChIKey

OKHORWCUMZIORR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1601-18-9

CID: 15339

Formula: C20H18ClNO4

MW: 371.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.8
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	371.0924357
Monoisotopic Mass	371.0924357
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	520
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-I140405-01	Indometacin EP Impurity E
RM-I140406-01	Indometacin EP Impurity F
RM-I140409-01	Indometacin EP Impurity I
RM-I140410-01	Indometacin EP Impurity J
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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