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rac-Etodolac

CAT: 0572-TRC-E933100-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E933100-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41340-25-4
Synonyms
1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic Acid; 1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid; (+/-)-Etodolac; (RS)-Etodolic acid; Edolan; Etodolac; Etodolic acid; Etogesic; Lodin XL; Lodine; Ramodar; Tedolan; Ultradol; Zedolac
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12
Molecular Formula
C17 H21 N O3
Molecular Weight
287.35
InChI
InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
Additionnal Information
IUPAC name: 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Etodolac

Etodolac can cause developmental toxicity and female reproductive toxicity according to state or federal government labeling requirements.

CAS Number41340-25-4
PubChem CID3308
IUPAC Name2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
Molecular FormulaC17H21NO3
Molecular Weight287.35
XLogP2.8
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity399
SMILES
CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O
InChI
InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
InChIKey
NNYBQONXHNTVIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Etodolac
CAS: 41340-25-4
CID: 3308
Formula: C17H21NO3
MW: 287.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.35
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass287.15214353
Monoisotopic Mass287.15214353
Topological Polar Surface Area62.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity399
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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