Aceclofenac EP Impurity H

CAT: 1299-RM-A030608-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A030608-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1216495-92-9

Synonyms

2- (2- (2- (2- (2- ((2,6-dichlorophenyl) amino) phenyl) acetoxy) acetoxy) acetoxy) acetic acid

Molecular Formula

C20H17Cl2NO8

Molecular Weight

470.26

Target Alternative Name

Aceclofenac

Product Name Synonym

2- (2- (2- (2- (2- ((2,6-dichlorophenyl) amino) phenyl) acetoxy) acetoxy) acetoxy) acetic acid

Chemical Information

Diacetic aceclofenac

CAS Number	1216495-92-9
PubChem CID	57369464
IUPAC Name	2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
Molecular Formula	C20H17Cl2NO8
Molecular Weight	470.3
XLogP	4.2
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	13
Heavy Atom Count	31
Formal Charge	0
Complexity	637

SMILES

C1=CC=C(C(=C1)CC(=O)OCC(=O)OCC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C20H17Cl2NO8/c21-13-5-3-6-14(22)20(13)23-15-7-2-1-4-12(15)8-17(26)30-10-19(28)31-11-18(27)29-9-16(24)25/h1-7,23H,8-11H2,(H,24,25)

InChIKey

ZCCRLKICIDWHKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1216495-92-9

CID: 57369464

Formula: C20H17Cl2NO8

MW: 470.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	470.3
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	13
Exact Mass	469.0331219
Monoisotopic Mass	469.0331219
Topological Polar Surface Area	128 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	637
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-A030607-01	Aceclofenac EP Impurity G
RM-A030604-01	Aceclofenac EP Impurity D
RM-A030603-01	Aceclofenac EP Impurity C
RM-A030606-01	Aceclofenac EP Impurity F
RM-A030605-01	Aceclofenac EP Impurity E
RM-D030401-01	Diclofenac EP Impurity A; Aceclofenac EP Impurity I
RM-D030400-01	Diclofenac Potassium; Aceclofenac EP Impurity A; Diclofenac Sodium
RM-A030602-01	Aceclofenac EP Impurity B; Diclofenac Methyl Ester
RM-A030615-01	Aceclofenac Impurity 15
RM-A030612-01	Aceclofenac Impurity 12