Diclofenac Epolamine

CAT: 0926-FD171589Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FD171589Size:100 mg

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CAS Number

119623-66-4

Smiles

C1CCN (C1) CCO.C1=CC=C (C (=C1) CC (=O) O) NC2=C (C=CC=C2Cl) Cl

Molecular Formula

C20H22Cl2N2O2

Molecular Weight

393.31 g/mol

Controlled

Chemical Information

Diclofenac Epolamine

A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.

CAS Number	119623-66-4
PubChem CID	114753
IUPAC Name	2-[2-(2,6-dichloroanilino)phenyl]acetic acid;2-pyrrolidin-1-ylethanol
Molecular Formula	C20H24Cl2N2O3
Molecular Weight	411.3
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	363

SMILES

C1CCN(C1)CCO.C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C14H11Cl2NO2.C6H13NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;8-6-5-7-3-1-2-4-7/h1-7,17H,8H2,(H,18,19);8H,1-6H2

InChIKey

DCERVXIINVUMKU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119623-66-4

CID: 114753

Formula: C20H24Cl2N2O3

MW: 411.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	411.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	410.1163980
Monoisotopic Mass	410.1163980
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	363
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	2
Compound Is Canonicalized	Yes

Catalog	Name
C6408-25	Diclofenac Epolamine
TRC-E588950-25ML	Epolamine
MBS6062591-01	Diclofenac Alcohol (Diclofenac Impurity)
B3505-50	Diclofenac