Etodolac

CAT: 1299-RM-E201500-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E201500-01Size:10 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

2- (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl) acetic acid

Molecular Formula

C17H21NO3

Molecular Weight

287.35

Target Alternative Name

Etodolac

Product Name Synonym

2- (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl) acetic acid

Chemical Information

Etodolac

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

CAS Number	41340-25-4
PubChem CID	3308
IUPAC Name	2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
Molecular Formula	C17H21NO3
Molecular Weight	287.35
XLogP	2.8
Topological Polar Surface Area	62.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	399

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

CAS: 41340-25-4

CID: 3308

Formula: C17H21NO3

MW: 287.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.35
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	287.15214353
Monoisotopic Mass	287.15214353
Topological Polar Surface Area	62.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	399
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
B1444-100	Etodolac