nordoxepin

Modify Date: 2024-01-08 00:10:34

nordoxepin Structure
nordoxepin structure
Common Name nordoxepin
CAS Number 2887-91-4 Molecular Weight 265.350
Density 1.1±0.1 g/cm3 Boiling Point 420.8±44.0 °C at 760 mmHg
Molecular Formula C18H20ClNO Melting Point 159-160ºC
MSDS Chinese USA Flash Point 174.5±17.9 °C
Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning

 Use of nordoxepin


Nordoxepin hydrochloride is the major metabolite of Doxepin. Doxepin is a tricyclic antidepressant that is widely prescribed for the treatment of mild depression[1].

 Names

Name Nordoxepin Hydrochloride
Synonym More Synonyms

 nordoxepin Biological Activity

Description Nordoxepin hydrochloride is the major metabolite of Doxepin. Doxepin is a tricyclic antidepressant that is widely prescribed for the treatment of mild depression[1].
Related Catalog
References

[1]. Negrusz A, et al. Detection of doxepin and its major metabolite desmethyldoxepin in hair following drug therapy. J Anal Toxicol. 1998;22(6):531-536.

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 420.8±44.0 °C at 760 mmHg
Melting Point 159-160ºC
Molecular Formula C18H20ClNO
Molecular Weight 265.350
Flash Point 174.5±17.9 °C
Exact Mass 265.146667
PSA 21.26000
LogP 4.59
Appearance of Characters powder | white to off-white
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.635
Storage condition -20°C Freezer

 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: Nordoxepin hydrochloride
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No.: 2887-91-4
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 4), H302
Acute aquatic toxicity (Category 1), H400
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn, N Harmful, Dangerous for the R22, R50/53
environment
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordWarning
Hazard statement(s)
H302Harmful if swallowed.
H400Very toxic to aquatic life.
Precautionary statement(s)
P273Avoid release to the environment.
Supplemental Hazardnone
Statements
Safety data sheet available on request.
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Synonyms: 11(6H)-(3-[Methylamino]propylidene)dibenz[b,e]oxepine
Formula: C18H19NO · HCl
Molecular Weight: 301,81 g/mol
CAS-No.: 2887-91-4
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
11(6H)-(3-[Methylamino]propylidene)dibenz[b,e]oxepine
CAS-No.2887-91-4Acute Tox. 4; Aquatic Acute 1; <= 100 %
H302, H400
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
11(6H)-(3-[Methylamino]propylidene)dibenz[b,e]oxepine
CAS-No.2887-91-4Xn, N, R22 - R50/53<= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Hydrogen chloride gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
the environment must be avoided.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: powder
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative densityno data available
n) Water solubilityno data available
o) Partition coefficient: n- log Pow: 3,79
octanol/water
p) Auto-ignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available

SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
Very toxic to aquatic life.
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: 3077IMDG: 3077IATA: 3077
UN proper shipping name
ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (11(6H)-(3-
[Methylamino]propylidene)dibenz[b,e]oxepine)
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (11(6H)-(3-
[Methylamino]propylidene)dibenz[b,e]oxepine)
IATA:Environmentally hazardous substance, solid, n.o.s. (11(6H)-(3-
[Methylamino]propylidene)dibenz[b,e]oxepine)
Transport hazard class(es)
ADR/RID: 9IMDG: 9IATA: 9
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: yesIMDG Marine pollutant: yesIATA: yes
Special precautions for user
Further information
EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination
packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids.



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning
Hazard Statements H302-H400
Precautionary Statements P273
Hazard Codes Xn,N
Risk Phrases 22-50/53
Safety Phrases 60-61
RIDADR UN 3077 9 / PGIII
WGK Germany 3

 Articles26

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Simultaneous determination of doxepin and nordoxepin in serum using high-performance liquid chromatography.

J. Chromatogr. A. 419 , 445-51, (1987)

Quantitative determination of E- and Z-doxepin and E- and Z-desmethyldoxepin by high-performance liquid chromatography.

Ther. Drug Monit. 17(4) , 371-6, (1995)

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 Synonyms

(3Z)-3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methylpropan-1-amine
3-Dibenz(b,e)oxepin-11(6H)-ylidene-N-methyl-1-propanamine
1-Propanamine,3-dibenzb,eoxepin-11(6H)-ylidene-N-methyl-,hydrochloride
11[6H]-[3-(METHYLAMINO)PROPYLIDENE]DIBENZ[B,E]OXEPINE HYDROCHLORIDE
nordoxepin
N-DesMethyldoxepin-d3 Hydrochloride
1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N-methyl-, (3Z)-
11(6h)-(3-[methylamino]propylidene)dibenz[b,e]oxepine
1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene-N-methyl-
NorDoxepinHydrochloride
(3Z)-3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methyl-1-propanamine
3-Dibenzo[b,e]oxepin-11(6H)-ylidene-N-methylpropan-1-amine
demethyldoxepin
3-(Dibenz[b,e]oxepin-11(6H)-ylidene)-N-Methyl
N-Desmethyldoxepin
N-DesMethyldoxepin Hydrochloride
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