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Amitriptyline EP Impurity E

CAT: 1299-RM-A133105-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A133105-01Size:10 mg
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CAS Number
26360-49-6
Synonyms
3- (2,3,4,4a,11,11a-hexahydro-1H-dibenzo[a, d][7]annulen-5 (10H) -ylidene) -N, N-dimethylpropan-1-amine
Molecular Formula
C20H29N
Molecular Weight
283.45
Target Alternative Name
Amitriptyline
Product Name Synonym
3- (2,3,4,4a,11,11a-hexahydro-1H-dibenzo[a, d][7]annulen-5 (10H) -ylidene) -N, N-dimethylpropan-1-amine

Chemical Information

N,N-Dimethyl-3-(1,2,3,4,4a,10,11,11a-octahydro-5H-dibenzo(a,d)(7)annulen-5-ylidene)propan-1-amine
CAS Number26360-49-6
PubChem CID71587081
IUPAC NameN,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trienylidene)propan-1-amine
Molecular FormulaC20H29N
Molecular Weight283.5
XLogP5.3
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity357
SMILES
CN(C)CCC=C1C2CCCCC2CCC3=CC=CC=C31
InChI
InChI=1S/C20H29N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3,5,8,10,12,17,19H,4,6-7,9,11,13-15H2,1-2H3
InChIKey
ICRIDJCFLQHFFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethyl-3-(1,2,3,4,4a,10,11,11a-octahydro-5H-dibenzo(a,d)(7)annulen-5-ylidene)propan-1-amine
CAS: 26360-49-6
CID: 71587081
Formula: C20H29N
MW: 283.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.5
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass283.229999929
Monoisotopic Mass283.229999929
Topological Polar Surface Area3.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity357
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-A01977-01Amitriptyline EP Impurity F (Amitriptyline Hydroxy Impurity)
KL-02-00189-01Amitriptyline EP Impurity A
AR-A01972-01Amitriptyline EP Impurity D
AR-A01971-01Amitriptyline EP Impurity A (Dibenzosuberone)
AR-A06308-01Amitriptyline EP Impurity F-d6
AR-A01980-01Amitriptyline EP Impurity G (Dibenzosuberol)
AR-A01978-01Amitriptyline EP Impurity E HCl (Mixture of Diastereomers)
AR-N01841Amitriptyline EP Impurity C HCl (Nortriptyline HCl)
AR-A06311-01Amitriptyline-D3 HCl (Nortriptyline EP Impurity F-D3 HCl)
A1382Amitriptyline

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