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

Basic Information

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CAS Number

113806-05-6

Molecular Formula

C21H23NO3

Molecular Weight

337.42 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

Basic Physical Properties

Melting Point

188-194°C

SMILES

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

InChI

InChI=1S/C21H23NO3/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)/b18-8+

InChIKey

JBIMVDZLSHOPLA-QGMBQPNBSA-N

LogP

3.589500000000002

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

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Dibenz[b,e]oxepin-2-acetic acid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, (11Z)-
OLOPATADINE [MI]
R01AC08
(z)-11-(3-(dimethyl-amino)-propylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid
Olopatadine
GTPL7249
CHEMBL1719
AKOS005557129
BRD-K37130586-003-01-3
NS00000615
HMS2089K10
SR-01000763388-3
Opatanol
Olopatadin
OLOPATADINE [INN]
(Z)-2-(11-(3-(Dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
EN300-6482051
113806-05-6
JBIMVDZLSHOPLA-LSCVHKIXSA-N
AKOS025149450
MLS006011811
D27V6190PM
AB00698500-10
OLOPATADINE [WHO-DD]
BRD-K67637637-003-12-6
CHEMBL1189432
AB00698500-07
2-[(2Z)-2-[3-(dimethylamino)propylidene]-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-5-yl]acetic acid
Olopatadine (INN)
[11-(3-Dimethylamino-propylidene)-6,11-dihydro-dibenzo[b,e]oxepin-2-yl]-acetic acid; hydrochloride
BIDD:GT0285

MDL Number

MFCD00865645

FAQ

What regulatory guidelines apply to (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid (CAS: 113806-05-6)?

Regulatory guidelines for (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid (CAS: 113806-05-6) include GHS classification for handling, storage, and transportation. Additionally, REACH regulations, FDA requirements for biocompatibility, and EPA guidelines for environmental protection must be adhered to. Compliance with these guidelines ensures safe and responsible management of the compound.

Are there alternatives to (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid (CAS: 113806-05-6) in synthesis?

While (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid (CAS: 113806-05-6) is a specific compound, alternatives in synthesis can include other oxepin derivatives or related dicarbonyl compounds. Common substitutes might include isomers or analogs, such as 6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid derivatives, providing similar functional groups and reactivity profiles.

What is the market or research trend for (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid (CAS: 113806-05-6)?

Research trends for (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid (CAS: 113806-05-6) focus on its potential applications in pharmaceuticals and materials science. Market trends indicate increasing interest in its use as a precursor or intermediate due to its unique chemical structure and reactivity. Emerging research is exploring its properties for drug design and polymer synthesis.

How should waste containing (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid (CAS: 113806-05-6) be handled?

Waste containing (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid (CAS: 113806-05-6) should be collected in appropriate containers and handled under strict environmental protection guidelines. Incineration or professional waste disposal is recommended, with precautions to prevent contamination of air and water. Proper documentation and compliance with local and international regulations are essential for safe disposal.

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

Compound Q&A

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Compound Q&A

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Compound Q&A

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NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

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Compound Q&A

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Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

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Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

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{(11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid | CAS No. 113806-05-6

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Hazard Class

Synonyms & References

English

MDL Number

FAQ

What regulatory guidelines apply to (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid (CAS: 113806-05-6)?

Are there alternatives to (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid (CAS: 113806-05-6) in synthesis?

What is the market or research trend for (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid (CAS: 113806-05-6)?

How should waste containing (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid (CAS: 113806-05-6) be handled?

Related Compounds

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Supplier Information

Jiangsu Huai'an Xinlicheng Chemical Co., Ltd. Beijing

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Meilan Pharmaceutical Co., Ltd.

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JiangSuBeiDaYiYao Technology Co Ltd

Zhuhai Chuming Pharmaceutical Co., Ltd.

Nantong Zhonghe Chemical New Materials Co., Ltd.

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