Indometacin EP Impurity G

CAT: 1299-RM-I140407-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I140407-01Size:10 mg

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CAS Number

402849-26-7

Synonyms

2- (1- (3,4-dichlorobenzoyl) -5-methoxy-2-methyl-1H-indol-3-yl) acetic acid

Molecular Formula

C19H15Cl2NO4

Molecular Weight

392.23

Target Alternative Name

Indometacin

Product Name Synonym

2- (1- (3,4-dichlorobenzoyl) -5-methoxy-2-methyl-1H-indol-3-yl) acetic acid

Chemical Information

3-Chloro indomethacin

CAS Number	402849-26-7
PubChem CID	60041330
IUPAC Name	2-[1-(3,4-dichlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Molecular Formula	C19H15Cl2NO4
Molecular Weight	392.2
XLogP	4.9
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	546

SMILES

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

InChI

InChI=1S/C19H15Cl2NO4/c1-10-13(9-18(23)24)14-8-12(26-2)4-6-17(14)22(10)19(25)11-3-5-15(20)16(21)7-11/h3-8H,9H2,1-2H3,(H,23,24)

InChIKey

CVBHEFZJZLHDGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 402849-26-7

CID: 60041330

Formula: C19H15Cl2NO4

MW: 392.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	392.2
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	391.0378133
Monoisotopic Mass	391.0378133
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	546
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-I140408-01	Indometacin EP Impurity H
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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