{(11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid hydrochloride (1:1)

Basic Information

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CAS Number

140462-76-6

Molecular Formula

C21H24ClNO3

Molecular Weight

373.88 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

250-254°C

Boiling Point

545.7°C at 760 mmHg

Density

Flash Point

No data available

Solubility

H2O: ≥20mg/mL

Vapor Pressure

No data available

SMILES

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CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O.Cl

InChI

InChI=1S/C21H23NO3.ClH/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24;/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24);1H/b18-8-;

InChIKey

HVRLZEKDTUEKQH-NOILCQHBSA-N

LogP

4.011300000000004

Topological Polar Surface Area

49.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

488

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Olopatadine Hydrochloride Ophthalmic
UNII-2XG66W44KF
Clear Eyes Once Daily Eye Allergy Itch Relief
OLOPATADINE HYDROCHLORIDE [USP MONOGRAPH]
OLOPATADINE HYDROCHLORIDE (USP MONOGRAPH)
NCGC00263532-01
OLOPATADINE HYDROCHLORIDE [MART.]
C72607
MFCD00875716
Hydrochloride, Olopatadine
Opatanol (TN)
BCP9001022
SR-01000763388-4
Olopax
Olopatadine Hydrochloride Ophthalmic SolutionTwice Daily
Olopatadine hydrochloride (USAN:USP)
NCGC00164623-01
PATADAY TWICE DAILY RELIEF
Eye Allergy Itch and Redness Relief
Eye Allergy Itch Relief
Patanase
Dibenz(b,e)oxepin-2-acetic acid, 11-(3-(dimethylamino)propylidene)-6,11-dihydro-, hydrochloride, (Z)-
PATADAY TWICE A DAY RELIEF
ALO4943A;KW4679
Olopatadine Hydrochloride Nasal
KS-1228
2XG66W44KF
D01192
CVS Eye Allergy Itch ReliefTwice Daily
11-((Z)-3-(Dimethylamino)propylidene)-6,11-dihydrodibenz(b,e)oxepin-2-acetic acid hydrochloride
MLS001401465

MDL Number

MFCD00875716

Customs Code

2932999099

FAQ

What is {(11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid hydrochloride (CAS: 140462-76-6)?

This compound is a hydrochloride salt of {(11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid. It is a complex organic molecule with a molecular formula of C21H27ClNO4. It is known for its structural features, which include a dibenzo[b,e]oxepin core and a dimethylamino group, and is often used in pharmaceutical research due to its potential biological activity.

What are the main uses of {(11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid hydrochloride (CAS: 140462-76-6)?

This compound is primarily used in pharmaceutical research as a potential therapeutic agent. It may be studied for its effects on neurological disorders and other conditions. Additionally, it can serve as a chemical intermediate in the synthesis of various drugs and compounds, making it relevant in both academic and industrial settings.

Is {(11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid hydrochloride (CAS: 140462-76-6) safe?

Safety of this compound depends on its application and exposure conditions. It is generally considered safe when handled properly in controlled environments. However, standard safety precautions should be followed, including the use of personal protective equipment (PPE) and adherence to chemical safety guidelines. Its toxicity profile is not well-established, but it should be treated as a hazardous chemical due to its complex structure.

How should {(11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid hydrochloride (CAS: 140462-76-6) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at 2-8°C. It is sensitive to moisture and light, so it should be kept in a sealed container with desiccant. Storage in a well-ventilated area is recommended to prevent exposure to air and ensure stability over time.