Product Name

  • Name

    Olopatadine

  • EINECS
  • CAS No. 113806-05-6
  • Article Data11
  • CAS DataBase
  • Density 1.221 g/cm3
  • Solubility
  • Melting Point 188-189.5°
  • Formula C21H23NO3
  • Boiling Point 523 °C at 760 mmHg
  • Molecular Weight 337.419
  • Flash Point 270.1 °C
  • Transport Information
  • Appearance white or off-white crystalline powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 113806-05-6 (Olopatadine)
  • Hazard Symbols
  • Synonyms Dibenz[b,e]oxepin-2-aceticacid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, (Z)-;11-[(Z)-3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-aceticacid;Opatanol;Pataday;Patanol;
  • PSA 49.77000
  • LogP 3.58950

Synthetic route

(Z)-11-(3-dimethylaminopropylidene)-6,11-dihydro-dibenz-[b,e]oxepine-2-acetic acid hydrobromide
951006-73-8

(Z)-11-(3-dimethylaminopropylidene)-6,11-dihydro-dibenz-[b,e]oxepine-2-acetic acid hydrobromide

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
With sodium hydroxide In water at 5 - 25℃; for 20 - 21.0833h; pH=6.8 - 7.2; Product distribution / selectivity;96.09%
In water at 20 - 25℃; for 16h; pH=6.8 - 7.2; Product distribution / selectivity; Alkaline conditions;92.3%
Stage #1: (Z)-11-(3-dimethylaminopropylidene)-6,11-dihydro-dibenz-[b,e]oxepine-2-acetic acid hydrobromide With sodium hydroxide In water; toluene at 20 - 25℃; pH=> 12;
Stage #2: With hydrogenchloride In water at 20 - 25℃; pH=6.8 - 7.2;		90%
(Z)-11-<3-(dimethylamino)propylidene>-6,11-dihydrodibenzoxepin-2-acetic acid methyl ester
113806-01-2

(Z)-11-<3-(dimethylamino)propylidene>-6,11-dihydrodibenzoxepin-2-acetic acid methyl ester

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Stage #1: (Z)-11-<3-(dimethylamino)propylidene>-6,11-dihydrodibenzoxepin-2-acetic acid methyl ester With methanol; sodium hydroxide; water at 20℃; for 5h;
Stage #2: With hydrogenchloride In methanol; water
Stage #3: In methanol; water		92%
With water; sodium hydroxide In methanol at 20℃; for 3h;88%
isoxepac
55453-87-7

isoxepac

N,N-dimethyl-3-bromopropylamine
53929-74-1

N,N-dimethyl-3-bromopropylamine

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Stage #1: N,N-dimethyl-3-bromopropylamine With zinc dibromide In tetrahydrofuran at 10 - 20℃; for 0.166667h; Inert atmosphere;
Stage #2: With naphthalene; lithium In tetrahydrofuran at 65 - 70℃; Inert atmosphere;
Stage #3: isoxepac In tetrahydrofuran at 0 - 25℃; for 16.5h; Reagent/catalyst; Temperature;		81.2%
isoxepac
55453-87-7

isoxepac

anhydrous 3-(dimethylamino)propyltriphenylphosphonium bromide hydrobromide
27710-82-3

anhydrous 3-(dimethylamino)propyltriphenylphosphonium bromide hydrobromide

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Stage #1: anhydrous 3-(dimethylamino)propyltriphenylphosphonium bromide hydrobromide With sodium hydride In tetrahydrofuran; dimethyl sulfoxide; mineral oil at 20 - 45℃; Inert atmosphere; Large scale;
Stage #2: isoxepac In tetrahydrofuran; dimethyl sulfoxide; mineral oil at 20℃; Solvent; Wittig Olefination; Large scale;		55.63%
(Z)-11-<3-(dimethylamino)propylidene>-6,11-dihydrodibenzoxepin-2-acetic acid p-toluenesulfonate

(Z)-11-<3-(dimethylamino)propylidene>-6,11-dihydrodibenzoxepin-2-acetic acid p-toluenesulfonate

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
With sodium hydrogencarbonate49%
11-[(Z)-3-(dimethylamino)-propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-acetamide p-toluensulfonate
1123338-92-0

11-[(Z)-3-(dimethylamino)-propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-acetamide p-toluensulfonate

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Stage #1: 11-[(Z)-3-(dimethylamino)-propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-acetamide p-toluensulfonate With sodium hydrogencarbonate In methanol; dichloromethane; water for 0.25h;
Stage #2: With water; potassium hydroxide In methanol; dichloromethane at 70℃; for 8h;
Stage #3: With hydrogenchloride In methanol; dichloromethane; water at 20℃; pH=11;		44.3%
Reaxys ID: 12504340

Reaxys ID: 12504340

olopatadine
113806-05-6

olopatadine

(Z)-11-[3-(dimethylamino)propylidene]-6,11-dihydro-dibenz[b,e]oxepin-2-acetic acid butyl ester
1253179-74-6

(Z)-11-[3-(dimethylamino)propylidene]-6,11-dihydro-dibenz[b,e]oxepin-2-acetic acid butyl ester

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Stage #1: (Z)-11-[3-(dimethylamino)propylidene]-6,11-dihydro-dibenz[b,e]oxepin-2-acetic acid butyl ester With potassium hydroxide In water at 5 - 70℃; for 4h;
Stage #2: With sodium hydroxide In water; toluene at 20 - 25℃;
Stage #3: With hydrogenchloride In water; acetone; toluene at 20 - 25℃; pH=2.5 - 3.0;
3-(N,N-dimethylamino)propylmagnesium chloride
19070-16-7

3-(N,N-dimethylamino)propylmagnesium chloride

A

olopatadine
113806-05-6

olopatadine

B

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid
113806-06-7

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: toluene; tetrahydrofuran / 2.08 h / 5 - 18 °C
2: hydrogenchloride / toluene / 7 h / 90 °C
View Scheme
11-hydroxy-11-(3-dimethylaminopropyl)-6,11-dihydrodibenz[b,e] oxepin-2-acetic acid

11-hydroxy-11-(3-dimethylaminopropyl)-6,11-dihydrodibenz[b,e] oxepin-2-acetic acid

A

olopatadine
113806-05-6

olopatadine

B

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid
113806-06-7

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid

Conditions
ConditionsYield
With hydrogenchloride In toluene at 90℃; for 7h;A n/a
B n/a
isoxepac
55453-87-7

isoxepac

3-dimethylaminopropyltriphenylphosphine hydrobromide

3-dimethylaminopropyltriphenylphosphine hydrobromide

A

olopatadine
113806-05-6

olopatadine

B

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid
113806-06-7

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid

Conditions
ConditionsYield
Stage #1: isoxepac; 3-dimethylaminopropyltriphenylphosphine hydrobromide With sodium hydride In tetrahydrofuran at 20 - 60℃; for 4h; Inert atmosphere; Large scale;
Stage #2: at 20℃; Inert atmosphere; Large scale; Overall yield = 62.5 %; Overall yield = 2.36 kg;
...Expand
4-(2-methoxycarbonylbenzyloxy)phenyl acetic acid
1009378-92-0

4-(2-methoxycarbonylbenzyloxy)phenyl acetic acid

A

olopatadine
113806-05-6

olopatadine

B

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid
113806-06-7

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride / ethanol / 3 h / Reflux; Large scale
1.2: pH 1 - 2 / Large scale
2.1: acetic anhydride / 2 h / 80 - 90 °C / Large scale
3.1: sodium hydride / tetrahydrofuran / 4 h / 20 - 60 °C / Inert atmosphere; Large scale
3.2: 20 °C / Inert atmosphere; Large scale
View Scheme
4-(2-carboxybenzyloxy) phenyl acetic acid
55453-89-9

4-(2-carboxybenzyloxy) phenyl acetic acid

A

olopatadine
113806-05-6

olopatadine

B

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid
113806-06-7

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: acetic anhydride / 2 h / 80 - 90 °C / Large scale
2.1: sodium hydride / tetrahydrofuran / 4 h / 20 - 60 °C / Inert atmosphere; Large scale
2.2: 20 °C / Inert atmosphere; Large scale
View Scheme
o-(chloromethyl)benzoic acid methyl ester
34040-62-5

o-(chloromethyl)benzoic acid methyl ester

A

olopatadine
113806-05-6

olopatadine

B

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid
113806-06-7

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: potassium carbonate / ethanol / 24 h / Reflux
2.1: potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride / ethanol / 3 h / Reflux; Large scale
2.2: pH 1 - 2 / Large scale
3.1: acetic anhydride / 2 h / 80 - 90 °C / Large scale
4.1: sodium hydride / tetrahydrofuran / 4 h / 20 - 60 °C / Inert atmosphere; Large scale
4.2: 20 °C / Inert atmosphere; Large scale
View Scheme
Methyl 4-hydroxyphenylacetate
14199-15-6

Methyl 4-hydroxyphenylacetate

A

olopatadine
113806-05-6

olopatadine

B

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid
113806-06-7

11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: potassium carbonate / ethanol / 24 h / Reflux
2.1: potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride / ethanol / 3 h / Reflux; Large scale
2.2: pH 1 - 2 / Large scale
3.1: acetic anhydride / 2 h / 80 - 90 °C / Large scale
4.1: sodium hydride / tetrahydrofuran / 4 h / 20 - 60 °C / Inert atmosphere; Large scale
4.2: 20 °C / Inert atmosphere; Large scale
View Scheme
Methyl 4-hydroxyphenylacetate
14199-15-6

Methyl 4-hydroxyphenylacetate

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 20 °C
2: iodine; silver sulfate / methanol / 2.25 h / 20 °C
3: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / N,N-dimethyl-formamide / 4 h / 20 °C / Inert atmosphere
4: piperidine; formic acid; palladium diacetate; tris-(o-tolyl)phosphine / N,N-dimethyl-formamide / 4 h / 95 °C / Inert atmosphere
5: pyridine / 0 - 90 °C
6: methanol; water / 3 h / Reflux
7: sodium hydroxide; water / methanol / 3 h / 20 °C
View Scheme
1-Bromo-2-bromomethyl-benzene
3433-80-5

1-Bromo-2-bromomethyl-benzene

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 20 °C
2: iodine; silver sulfate / methanol / 2.25 h / 20 °C
3: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / N,N-dimethyl-formamide / 4 h / 20 °C / Inert atmosphere
4: piperidine; formic acid; palladium diacetate; tris-(o-tolyl)phosphine / N,N-dimethyl-formamide / 4 h / 95 °C / Inert atmosphere
5: pyridine / 0 - 90 °C
6: methanol; water / 3 h / Reflux
7: sodium hydroxide; water / methanol / 3 h / 20 °C
View Scheme
methyl 2-{4-[(2-bromobenzyl)oxy]phenyl}acetate
833485-11-3

methyl 2-{4-[(2-bromobenzyl)oxy]phenyl}acetate

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: iodine; silver sulfate / methanol / 2.25 h / 20 °C
2: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / N,N-dimethyl-formamide / 4 h / 20 °C / Inert atmosphere
3: piperidine; formic acid; palladium diacetate; tris-(o-tolyl)phosphine / N,N-dimethyl-formamide / 4 h / 95 °C / Inert atmosphere
4: pyridine / 0 - 90 °C
5: methanol; water / 3 h / Reflux
6: sodium hydroxide; water / methanol / 3 h / 20 °C
View Scheme
methyl 2-{4-[(2-bromobenzyl)oxy]-3-iodophenyl}acetate
916243-37-3

methyl 2-{4-[(2-bromobenzyl)oxy]-3-iodophenyl}acetate

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / N,N-dimethyl-formamide / 4 h / 20 °C / Inert atmosphere
2: piperidine; formic acid; palladium diacetate; tris-(o-tolyl)phosphine / N,N-dimethyl-formamide / 4 h / 95 °C / Inert atmosphere
3: pyridine / 0 - 90 °C
4: methanol; water / 3 h / Reflux
5: sodium hydroxide; water / methanol / 3 h / 20 °C
View Scheme
methyl 2-{4-[(2-bromobenzyl)oxy]-3-(4-hydroxybut-1-yn-1-yl)phenyl}acetate
916243-38-4

methyl 2-{4-[(2-bromobenzyl)oxy]-3-(4-hydroxybut-1-yn-1-yl)phenyl}acetate

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: piperidine; formic acid; palladium diacetate; tris-(o-tolyl)phosphine / N,N-dimethyl-formamide / 4 h / 95 °C / Inert atmosphere
2: pyridine / 0 - 90 °C
3: methanol; water / 3 h / Reflux
4: sodium hydroxide; water / methanol / 3 h / 20 °C
View Scheme
(Z)-methyl 2-[11-(3-hydroxypropylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl]acetate
916243-39-5

(Z)-methyl 2-[11-(3-hydroxypropylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl]acetate

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: pyridine / 0 - 90 °C
2: methanol; water / 3 h / Reflux
3: sodium hydroxide; water / methanol / 3 h / 20 °C
View Scheme
methyl 2-{11-[(Z)-3-(methanesulfonyloxy)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetate

methyl 2-{11-[(Z)-3-(methanesulfonyloxy)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetate

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: methanol; water / 3 h / Reflux
2: sodium hydroxide; water / methanol / 3 h / 20 °C
View Scheme
isoxepac
55453-87-7

isoxepac

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: 1-methyl-1H-imidazole; di-tert-butyl dicarbonate; triethylamine / toluene / 8.5 h / 50 °C
2.1: tetrahydrofuran / 2.5 h / 15 - 20 °C
2.2: 0.5 h
3.1: hydrogenchloride / toluene; water / 6 h / 100 °C
View Scheme
tert-butyl 11-hydroxy-11-(3’-dimethylaminopropyl)-6,11-dihydrodibenzo[b,e]oxepin-2-acetate
1018464-53-3

tert-butyl 11-hydroxy-11-(3’-dimethylaminopropyl)-6,11-dihydrodibenzo[b,e]oxepin-2-acetate

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
With hydrogenchloride In water; toluene at 100℃; for 6h;
olopatadine
113806-05-6

olopatadine

olopatadine hydrochloride
140462-76-6

olopatadine hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In water; acetone at 5 - 25℃; for 2 - 15h; Product distribution / selectivity;95.6%
With hydrogenchloride In water; acetone at 0 - 25℃; for 16 - 22h; Product distribution / selectivity;88.1%
With hydrogenchloride In water; acetone at 20 - 60℃; Product distribution / selectivity;81.2%
With hydrogenchloride In water
With hydrogenchloride In tetrahydrofuran; water at 15 - 20℃; for 0.75 - 0.833333h; pH=0 - 1; Heating / reflux;
N,O-dimethylhydroxylamine*hydrochloride
6638-79-5

N,O-dimethylhydroxylamine*hydrochloride

olopatadine
113806-05-6

olopatadine

(Z)-2-(11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)-N-methoxy-N-methylacetamide
1376615-92-7

(Z)-2-(11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)-N-methoxy-N-methylacetamide

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 16h;37%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 16h;37%
olopatadine
113806-05-6

olopatadine

(Z)-11-<3-(dimethylamino)propylidene>-2-(2-hydroxyethyl)-6,11-dihydrodibenzoxepin
113835-76-0

(Z)-11-<3-(dimethylamino)propylidene>-2-(2-hydroxyethyl)-6,11-dihydrodibenzoxepin

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran for 4h; Ambient temperature;11%
olopatadine
113806-05-6

olopatadine

{3-[2-(2-Dimethylamino-ethyl)-3H-inden-1-yl]-4-hydroxy-phenyl}-acetic acid

{3-[2-(2-Dimethylamino-ethyl)-3H-inden-1-yl]-4-hydroxy-phenyl}-acetic acid

Conditions
ConditionsYield
With hydrogen bromide at 100℃; for 2h;
olopatadine
113806-05-6

olopatadine

C21H23NO2
1376615-97-2

C21H23NO2

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / dichloromethane / 16 h / 20 °C
2: diisobutylaluminium hydride / dichloromethane; hexanes / 1 h / -78 °C
View Scheme
Multi-step reaction with 2 steps
1: triethylamine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 16 h / 20 °C
2: diisobutylaluminium hydride / dichloromethane; hexane / 1 h / -78 °C
View Scheme
olopatadine
113806-05-6

olopatadine

(Z)-2-(11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetaldehyde oxime
1376623-42-5

(Z)-2-(11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetaldehyde oxime

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / dichloromethane / 16 h / 20 °C
2: diisobutylaluminium hydride / dichloromethane; hexanes / 1 h / -78 °C
3: hydroxylamine hydrochloride; triethylamine / dichloromethane; hexanes; methanol / 5 h / 20 °C
View Scheme
Multi-step reaction with 3 steps
1: triethylamine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 16 h / 20 °C
2: diisobutylaluminium hydride / dichloromethane; hexane / 1 h / -78 °C
3: triethylamine; hydroxylamine hydrochloride / dichloromethane; methanol; hexane / 5 h / 20 °C
View Scheme
olopatadine
113806-05-6

olopatadine

(Z)-2-(11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetaldehyde O-methyl oxime
1376623-43-6

(Z)-2-(11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetaldehyde O-methyl oxime

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / dichloromethane / 16 h / 20 °C
2: diisobutylaluminium hydride / dichloromethane; hexanes / 1 h / -78 °C
3: triethylamine / dichloromethane; hexanes; methanol / 5 h / 20 °C
View Scheme
Multi-step reaction with 3 steps
1: triethylamine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 16 h / 20 °C
2: diisobutylaluminium hydride / dichloromethane; hexane / 1 h / -78 °C
3: triethylamine / dichloromethane; methanol; hexane / 5 h / 20 °C
View Scheme

Olopatadine Specification

The CAS register number of Dibenz[b,e]oxepin-2-aceticacid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, (11Z)- is 113806-05-6. It also can be called as 11-((Z)-3-(Dimethyl-amino)propylidene)-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid and the IUPAC name about this chemical is 2-[(11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid. The molecular formula about this chemical is C21H23NO3 and the molecular weight is 337.42. Classification code about this chemical are Analgesics, Analgesics, Non-Narcotic, Anti-Inflammatory Agents, Anti-allergic agents, Anti-inflammatory agents, non-steroidal, Antirheumatic Agents, Histamine Agents, Histamine Antagonists, Histamine H1 Antagonists, Non-Sedating, Histamine H1 antagonists, Neurotransmitter Agents, Peripheral Nervous System Agents and Sensory System Agents.

Physical properties about Dibenz[b,e]oxepin-2-aceticacid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, (11Z)- are: (1)ACD/LogP: 3.14; (2)ACD/LogD (pH 5.5): 0.63; (3)ACD/LogD (pH 7.4): 0.64; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.71; (7)ACD/KOC (pH 7.4): 3.82; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77Å2; (12)Index of Refraction: 1.64; (13)Molar Refractivity: 99.62 cm3; (14)Molar Volume: 276.2 cm3; (15)Polarizability: 39.49x10-24cm3; (16)Surface Tension: 56 dyne/cm; (17)Enthalpy of Vaporization: 83.86 kJ/mol; (18)Boiling Point: 523 °C at 760 mmHg; (19)Vapour Pressure: 9.11E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc2ccc1OCc3c(C(\c1c2)=C/CCN(C)C)cccc3
(2)InChI: InChI=1/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+
(3)InChIKey: JBIMVDZLSHOPLA-QGMBQPNBBL
(4)Std. 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+
(5)Std. InChIKey: JBIMVDZLSHOPLA-QGMBQPNBSA-N

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