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10-Hydroxy Amitriptyline Oxalate

CAT: 0572-TRC-H828100-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H828100-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246833-15-7
Synonyms
5-[3-(Dimethylamino)propylidene]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-10-ol Oxalate; Amitriptyline EP Impurity F
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
CN(C)CCC=C1C2=CC=CC=C2CC(C3=CC=CC=C31)O.C(=O)(C(=O)O)O
Molecular Formula
C22H25NO
Molecular Weight
383.44
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

10-Hydroxy Amitriptyline Oxalate
CAS Number1246833-15-7
PubChem CID154735203
IUPAC Name(2E)-2-[3-(dimethylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol;oxalic acid
Molecular FormulaC22H25NO5
Molecular Weight383.4
Topological Polar Surface Area98.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity461
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2CC(C3=CC=CC=C31)O.C(=O)(C(=O)O)O
InChI
InChI=1S/C20H23NO.C2H2O4/c1-21(2)13-7-12-17-16-9-4-3-8-15(16)14-20(22)19-11-6-5-10-18(17)19;3-1(4)2(5)6/h3-6,8-12,20,22H,7,13-14H2,1-2H3;(H,3,4)(H,5,6)/b17-12+;
InChIKey
QFIDJPMHGAQWEF-KCUXUEJTSA-N
Chemical Structure
2D Structure
2D structure of 10-Hydroxy Amitriptyline Oxalate
CAS: 1246833-15-7
CID: 154735203
Formula: C22H25NO5
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass383.17327290
Monoisotopic Mass383.17327290
Topological Polar Surface Area98.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity461
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-A01979-0110-Hydroxy Amitriptyline Oxalate
MBS6118814-0110-Hydroxy Amitriptyline
CS-O-16603Cis-10-hydroxy Amitriptyline
AR-A01977-01Amitriptyline EP Impurity F (Amitriptyline Hydroxy Impurity)
sc-257086Amitriptyline metabolite, (±) -E-10-hydroxylated-
B6457-108-Hydroxy-PIPAT oxalate
CS-P-071404-Hydroxy Atomoxetine Oxalate
HDC72403-013-Hydroxy citalopram oxalate
MBS6109326-0114-Hydroxy Carminomycin Oxalate
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