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Etodolac EP Impurity E

CAT: 1299-RM-E201505-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E201505-04Size:100 mg
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CAS Number
57817-27-3
Synonyms
2- (1-ethyl-8-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl) acetic acid
Molecular Formula
C18H23NO3
Molecular Weight
301.38
Target Alternative Name
Etodolac
Product Name Synonym
2- (1-ethyl-8-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl) acetic acid

Chemical Information

(1-Ethyl-8-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid
CAS Number57817-27-3
PubChem CID323244
IUPAC Name2-(1-ethyl-8-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
Molecular FormulaC18H23NO3
Molecular Weight301.4
XLogP3.4
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity413
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
2D structure of (1-Ethyl-8-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid
CAS: 57817-27-3
CID: 323244
Formula: C18H23NO3
MW: 301.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass301.16779360
Monoisotopic Mass301.16779360
Topological Polar Surface Area62.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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