8-Desethyl etodolac

CAT: 0024-sc-500065Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-500065Size:25 mg

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CAS Number

41339-67-7

Chemical Information

1-Ethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetic acid

CAS Number	41339-67-7
PubChem CID	10988999
IUPAC Name	2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
Molecular Formula	C15H17NO3
Molecular Weight	259.30
XLogP	2
Topological Polar Surface Area	62.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	359

SMILES

CCC1(C2=C(CCO1)C3=CC=CC=C3N2)CC(=O)O

InChI

InChI=1S/C15H17NO3/c1-2-15(9-13(17)18)14-11(7-8-19-15)10-5-3-4-6-12(10)16-14/h3-6,16H,2,7-9H2,1H3,(H,17,18)

InChIKey

OVKMSIKSGLLUIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41339-67-7

CID: 10988999

Formula: C15H17NO3

MW: 259.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.30
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	259.12084340
Monoisotopic Mass	259.12084340
Topological Polar Surface Area	62.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	359
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
TRC-D289315-250MG	8-Desethyl Etodolac
TRC-D289485-5MG	(-)-Desethyl Methyl Etodolac
163666	(-) -Desethyl Methyl Etodolac
AR-E08889-01	(+) -Desethyl Methyl Etodolac
RBA34019-01	8-Methyl etodolac
162375	8-Isopropyl Etodolac
TRC-P835255-25MG	8-Propyl Etodolac
162383-01	8-Propyl Etodolac (Etodolac EP Impurity E)
TRC-P835257-100MG	8-Propyl Etodolac-d3
CS-O-45818	8- (1-Hydroxyethyl) Etodolac