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Amitriptyline

Amitriptyline structure

CAS No:
50-48-6
Formula:
C20H23N
Chemical Name:
Amitriptyline
Synonyms:
1-Propanamine,3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-;5H-Dibenzo[a,d]cycloheptene-Δ5,γ-propylamine,10,11-dihydro-N,N-dimethyl-;3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine;Amitriptyline;Damilen;5-(3′-Dimethylaminopropylidene)-dibenzo-[a,d][1,4]-cycloheptadiene;5-(3-Dimethylaminopropylidene)-5H-dibenzo[a,d]-10,11-dihydrocycloheptene;5-(γ-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene;Proheptadiene;Flavyl;5-(γ-Dimethylaminopropylidene)-5H-dibenzo(a,d)(1,4)cycloheptadiene;Amitriptylin;Seroten;Triptisol;Damitriptyline;Triptanol;Adepress;MK 230;N 750;Amitriprolidine
Categories:
Active Pharmaceutical Ingredients > Nervous System Drugs

Description

ChEBI: An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.

Amitriptyline Basic Attributes

Molecular Weight：

277.4

Exact Mass：

277.40

EC Number：

200-041-6

HScode：

2921499090

Characteristics

PSA：

3.2

XLogP3：

4.9

Appearance：

Solid

Density：

1.1±0.1 g/cm3

Melting Point：

196.5 °C

Boiling Point：

195-205 °C

Flash Point：

174.0±18.9 °C

Refractive Index：

1.628

Water Solubility：

H2O: 9.7 mg/mL

Storage Conditions：

Amitriptyline hydrochloride tablets should be stored in well-closed containers at a temperature preferably between 15-30 deg C; exposure to temperatures exceeding 30 deg C should be avoided.

Vapor Pressure：

3.62X10-7 mm Hg at 25 deg C (est)

PKA：

9.4None

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

R36/37/38:Irritating to eyes, respiratory system and skin .

safety instructions：

S26-S36

Marks：

Stability/Shelf Life：

Stable under recommended storage conditions. /Amitriptyline hydrochloride/

Precautionary statement(s)：

P201, P202, P261, P264, P270, P271, P273, P280, P281, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P311, P312, P321, P322, P330, P361, P363, P391, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

Amitriptyline Use and Manufacturing

Antidepressant.

Computed Properties

Molecular Weight:277.4
XLogP3:5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:277.183049738
Monoisotopic Mass:277.183049738
Topological Polar Surface Area:3.2
Heavy Atom Count:21
Complexity:331
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Amitriptyline

CAS No.: 50-48-6

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