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Cyproheptadine EP Impurity B

CAT: 1299-RM-C161527-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C161527-01Size:10 mg
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CAS Number
1210-35-1
Synonyms
Nortriptyline hydrochloride EP Impurity A; Amitriptyline EP Impurity A; 10,11-dihydro-5H-dibenzo[a, d][7]annulen-5-one
Molecular Formula
C15H12O
Molecular Weight
208.26
Target Alternative Name
Cyproheptadine
Product Name Synonym
Nortriptyline hydrochloride EP Impurity A; Amitriptyline EP Impurity A; 10,11-dihydro-5H-dibenzo[a, d][7]annulen-5-one

Chemical Information

Dibenzosuberone
CAS Number1210-35-1
PubChem CID14589
IUPAC Nametricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
Molecular FormulaC15H12O
Molecular Weight208.25
XLogP4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity245
SMILES
C1CC2=CC=CC=C2C(=O)C3=CC=CC=C31
InChI
InChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2
InChIKey
BMVWCPGVLSILMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzosuberone
CAS: 1210-35-1
CID: 14589
Formula: C15H12O
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass208.088815002
Monoisotopic Mass208.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity245
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