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64520-05-4

64520-05-4 Structure

64520-05-4 Structure
IdentificationBack Directory
[Name]

AMITRIPTYLINE METABOLITE (+/-)-
[CAS]

64520-05-4
[Synonyms]

10-Hydroxy (E)-Amitriptyline
AMITRIPTYLINE METABOLITE (+/-)-
AMITRIPTYLINE METABOLITE (+-)-(E)-10-HYD ROXYLA
Amitriptyline metabolite, (±)-E-10-hydroxylated-
(E)-5-(3-(Dimethylamino)propylidene)-10,11-dihydro-5H-dibenzo[a,d][7]annulen-10-ol
5H-Dibenzo[a,d]cyclohepten-10-ol, 5-[3-(dimethylamino)propylidene]-10,11-dihydro-, (5E)-
(11E)-11-[3-(dimethylamino)propylidene]-5,6-dihydrodibenzo[2,1-b:2',1'-f][7]annulen-5-ol
[Molecular Formula]

C20H23NO
[MDL Number]

MFCD00069200
[MOL File]

64520-05-4.mol
[Molecular Weight]

293.4
Chemical PropertiesBack Directory
[Melting point ]

97-99 °C
[Boiling point ]

453.3±45.0 °C(Predicted)
[density ]

1.151±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

0.1 M HCl: soluble
[form ]

solid
[pka]

13.89±0.20(Predicted)
[color ]

white
[Stability:]

Hygroscopic
[InChI]

1S/C20H23NO/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/h3-6,8-12,20,22H,7,13-14H2,1-2H3/b17-12+
[InChIKey]

GHWBJXOKAFHZAI-SFQUDFHCSA-N
[SMILES]

CN(C)CC\C=C1/c2ccccc2CC(O)c3ccccc13
[EPA Substance Registry System]

5H-Dibenzo[a,d]cyclohepten-10-ol, 5-[3-(dimethylamino)propylidene]-10,11-dihydro-, (5E)- (64520-05-4)
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

(5E)-5-[3-(dimethylamino)propylidene]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-10-ol is a metabolite of amitriptyline (A633350) which is a dibenzocycloheptadiene derivative and an antidepressant (1). Amitriptyline is also a TrkA and TrkB receptor agonist and exhibits neurotrophic and anti-inflammatory activities (2,3). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA).
[Definition]

ChEBI: E-10-Hydroxyamitriptyline is an organic tricyclic compound.
[Biochem/physiol Actions]

Metabolite of amitriptyline, tricyclic antidepressant; chromatographic standard.
64520-05-4 suppliers list
Company Name: Sigma-Aldrich  
Telephone: 021-61415566 800-8193336
Website: https://www.sigmaaldrich.cn
Company Name: Shanghai ring qi biological technology co., LTD  
Telephone: 13524106587
Website: https://www.hq-chem.com
Company Name: LGC Science (Shanghai) Ltd.  
Telephone: 17717235263 17717235263
Website: www.lgcstandards.com/cn/en/
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