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zomepirac sodium

zomepirac sodium

CAS: 64092-48-4

Formula: C15H13ClNNaO3

SMILES: CN1C(CC(=O)O[Na])=CC(C)=C1C(=O)C1=CC=C(Cl)C=C1

IUPAC: sodium 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetate

InChI: InChI=1S/C15H14ClNO3.Na/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1

Composition: C (57.43%), H (4.18%), Cl (11.30%), N (4.46%), Na (7.33%), O (15.30%)

Molar Mass: 313.71

Atom Count: 34

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 313.0481653
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SEEXPXUCHVGZGU-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 76.27
Topological Polar Surface Area 48.3
Polarizability 31.2
Ring Count 2
Rotatable Bond Count 5

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