多塞平

Description

DOXEPIN · CAS 1668-19-5 · C19H21NO. UNII 5ASJ6HUZ7D. Boiling Point: 154-157 ºC at 0.03 mmHg; Boiling Point: 154-157 °C @ 0.03 MM HG; Melting Point: 185-191 ºC.

Identification

CAS Registry Number	1668-19-5
PubChem CID	3158
Molecular formula	C19H21NO
IUPAC name	3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
UNII (FDA)	5ASJ6HUZ7D

Computed Descriptors

Molecular Weight	279.4
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	279.162314293
Monoisotopic Mass	279.162314293
Topological Polar Surface Area	12.5
Heavy Atom Count	21
Formal Charge	0

Physical & Chemical Properties

Boiling Point	154-157 ºC at 0.03 mmHg
Boiling Point	154-157 °C @ 0.03 MM HG
Melting Point	185-191 ºC
Melting Point	184 - 186 °C
Solubility	31.6
Solubility	In water, 31.57 mg/l at 25 °C.
Solubility	3.19e-02 g/L
LogP	4.29
LogP	log Kow = 0.67
LogP	3.75

Physical description & handling notes

• Solid
• OILY LIQUID CONSISTING OF A MIXTURE OF CIS- & TRANS- ISOMERS
• ODORLESS
• BITTER
• Crystals, melting point 184 to 186 °C, 188 to 189 °C (a cis-trans mixture of approx 1:5) /HYDROCHLORIDE/
• Crystals, melting point 161 to 164 °C, 168 to 169 °C /MALEATE/

Documented Uses

• THERAP CAT: Antidepressant; THERAP CAT (VET): Antipruritic.
• Use (kg; approx.) in Germany (2009): >5000
• Consumption (g per capita; approx.) in Germany (2009): 0.0611
• Consumption (g per capita) in the USA (2002): 0.0116
• Doxepin is used for the treatment of depression, insomina, alcohol and drug withdrawal, gastrointestinal ulceration and other GI-problems. It can also be used for chronic urticaria and in the management of pain.
• Prepn of mixture of cis- trans-isomers: K. Stach, F. Bickelhaupt, Monatsh 93, 896 (1962); F. Bickelhaupt et al. Monatsh 95, 485 (1964); Neth pat Appl 6,407,758; K Stach, U.S. pat 3,438,981 (1965, 1969 both to Boehringer Mann); and separation and activity of isomers: B.M. Bloom, J.R. Tretter, Belg pat 641,498; eidem, U.S. pat 3,420,851 (1964, 1969 both to Pfizer).

Synonyms

doxepin; 1668-19-5; Doxepina; Doxepine; Sinepin; Doxepinum; CHEBI:4710; DTXSID7022966; 1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl-; 1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene-N,N-dimethyl-; 5ASJ6HUZ7D; Sinquan; ApoDoxepin; 11-(3-Dimethylamino-propyliden)-6,11-dihydro-dibenz(b,e)oxipin; N,N-Dimethyldibenz(b,e)oxepin-delta(11(6H),gamma)-propylamine; Novo Doxepin

Frequently Asked Questions

What are the CAS number and molecular formula of DOXEPIN?

CAS 1668-19-5; molecular formula C19H21NO; molecular weight — g/mol.

What other names is DOXEPIN known by?

doxepin, 1668-19-5, Doxepina, Doxepine, Sinepin, Doxepinum.

What are the key physical properties of DOXEPIN?

Boiling Point: 154-157 ºC at 0.03 mmHg; Boiling Point: 154-157 °C @ 0.03 MM HG; Melting Point: 185-191 ºC; Melting Point: 184 - 186 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.