8-Methyl etodolac

CAT: 0024-sc-477268Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-477268Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

41340-19-6

Chemical Information

8-Methyl etodolac

CAS Number	41340-19-6
PubChem CID	12272838
IUPAC Name	2-(1-ethyl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
Molecular Formula	C16H19NO3
Molecular Weight	273.33
XLogP	2.4
Topological Polar Surface Area	62.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	386

SMILES

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

InChI

InChI=1S/C16H19NO3/c1-3-16(9-13(18)19)15-12(7-8-20-16)11-6-4-5-10(2)14(11)17-15/h4-6,17H,3,7-9H2,1-2H3,(H,18,19)

InChIKey

MXFIBWNLCQBCCN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41340-19-6

CID: 12272838

Formula: C16H19NO3

MW: 273.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.33
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	273.13649347
Monoisotopic Mass	273.13649347
Topological Polar Surface Area	62.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	386
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
RBA34019-01	8-Methyl etodolac
TRC-D289315-250MG	8-Desethyl Etodolac
TRC-D289485-5MG	(-)-Desethyl Methyl Etodolac
162375	8-Isopropyl Etodolac
TRC-P835255-2.5MG	8-Propyl Etodolac
TRC-M305000-25MG	N-Methyl Etodolac
163666	(-) -Desethyl Methyl Etodolac
AR-E08889-01	(+) -Desethyl Methyl Etodolac
162383-01	8-Propyl Etodolac (Etodolac EP Impurity E)
TRC-P835257-100MG	8-Propyl Etodolac-d3