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Remifentanil EP Impurity L

CAT: 1596-AR-R11835-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R11835-01Size:10 Units
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CAS Number
2518276-69-0
Synonyms
Methyl 3- (2-ethyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-2-en-8-yl) propanoate (as per EP)
Molecular Formula
C19H25N3O3
Molecular Weight
343.4
API Name
Remifentanil

Chemical Information

Methyl 3-(2-Ethyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-2-en-8-yl)propanoate
CAS Number2518276-69-0
PubChem CID135391039
IUPAC Namemethyl 3-(2-ethyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-2-en-8-yl)propanoate
Molecular FormulaC19H25N3O3
Molecular Weight343.4
XLogP1.6
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity532
SMILES
CCC1=NC(=O)C2(N1C3=CC=CC=C3)CCN(CC2)CCC(=O)OC
InChI
InChI=1S/C19H25N3O3/c1-3-16-20-18(24)19(22(16)15-7-5-4-6-8-15)10-13-21(14-11-19)12-9-17(23)25-2/h4-8H,3,9-14H2,1-2H3
InChIKey
AAHXNFUUDPZAHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-(2-Ethyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-2-en-8-yl)propanoate
CAS: 2518276-69-0
CID: 135391039
Formula: C19H25N3O3
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass343.18959167
Monoisotopic Mass343.18959167
Topological Polar Surface Area62.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes