Etodolac EP Impurity E

CAT: 0926-FP165394-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FP165394-04Size:25 mg

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CAS Number

57817-27-3

Synonyms

8-Propyl etodolac

Smiles

CCCC1=C2C (=CC=C1) C3=C (N2) C (OCC3) (CC) CC (=O) O

Molecular Formula

C18H23NO3

Molecular Weight

301.38 g/mol

Controlled

Chemical Information

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

CAS Number	57817-27-3
PubChem CID	323244
IUPAC Name	2-(1-ethyl-8-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
Molecular Formula	C18H23NO3
Molecular Weight	301.4
XLogP	3.4
Topological Polar Surface Area	62.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	413

SMILES

CCCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O

InChI

InChI=1S/C18H23NO3/c1-3-6-12-7-5-8-13-14-9-10-22-18(4-2,11-15(20)21)17(14)19-16(12)13/h5,7-8,19H,3-4,6,9-11H2,1-2H3,(H,20,21)

InChIKey

JDLOBSPHOCEVJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57817-27-3

CID: 323244

Formula: C18H23NO3

MW: 301.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	301.4
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	301.16779360
Monoisotopic Mass	301.16779360
Topological Polar Surface Area	62.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	413
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

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Catalog	Name
AR-E02127-01	Etodolac Impurity A
AR-E02139-01	Etodolac Impurity J (Decarboxy Etodolac)
RM-E201518-01	Etodolac Impurity 18
RM-E201514-01	Etodolac Impurity 14
RM-E201515-01	Etodolac Impurity 15
RM-E201513-01	Etodolac Impurity 13
AR-I07538-01	Etodolac EP Impurity A
AR-E02144-01	Etodolac Impurity 3
AR-E10693-01	Etodolac Impurity 4
RM-E201520-01	Etodolac Impurity 20