N-Methyl Etodolac

CAT: 0024-sc-212224Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-212224Size:2.5 mg

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CAS Number

849630-94-0

Chemical Information

N-Methyl Etodolac

CAS Number	849630-94-0
PubChem CID	14146242
IUPAC Name	2-(1,8-diethyl-9-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)acetic acid
Molecular Formula	C18H23NO3
Molecular Weight	301.4
XLogP	2.8
Topological Polar Surface Area	51.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	427

SMILES

CCC1=C2C(=CC=C1)C3=C(N2C)C(OCC3)(CC)CC(=O)O

InChI

InChI=1S/C18H23NO3/c1-4-12-7-6-8-13-14-9-10-22-18(5-2,11-15(20)21)17(14)19(3)16(12)13/h6-8H,4-5,9-11H2,1-3H3,(H,20,21)

InChIKey

FVGKDAYQHVFRGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 849630-94-0

CID: 14146242

Formula: C18H23NO3

MW: 301.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	301.4
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	301.16779360
Monoisotopic Mass	301.16779360
Topological Polar Surface Area	51.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	427
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-M305000-25MG	N-Methyl Etodolac
TRC-D289485-5MG	(-)-Desethyl Methyl Etodolac
RBA34019-01	8-Methyl etodolac
163666	(-) -Desethyl Methyl Etodolac
AR-E08889-01	(+) -Desethyl Methyl Etodolac
AR-E08967-01	N-Nitroso Etodolac
TRC-N597755-25MG	N-nitroso-Etodolac
CS-O-45942	N-Nitroso Etodolac methylester
AR-E08986-01	N-Nitroso Etodolac Impurity 4
AR-E08985-01	N- Nitroso Etodolac Impurity 2