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Olopatadine hydrochloride(CAS No. 140462-76-6)

Olopatadine hydrochloride C21H23NO3·HCl (cas 140462-76-6) Molecular Structure

140462-76-6 Structure

Identification and Related Records

【Name】
Olopatadine hydrochloride
【Iupac name】
2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-
yl]acetic acid hydrochloride
【CAS Registry number】
140462-76-6
【Synonyms】
Dibenz[b,e]oxepin-2-aceticacid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, hydrochloride, (11Z)-(9CI)
ALO4943A
Allelock
KW 4679
Dibenz[b,e]oxepin-2-aceticacid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, hydrochloride (1:1),(11Z)-
11-((Z)-3-(Dimethylamino)propylidene)-6,11-dihydrodibenz(b,e)oxepin-2-acetic acid, hydrochloride
(Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid hydrochloride
【Molecular Formula】
C21H23NO3·HCl (Products with the same molecular formula)
【Molecular Weight】
373.88
【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-;
【Canonical SMILES】
CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O.Cl
【Isomers smiles】
CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O.Cl
【MOL File】
140462-76-6.mol

Chemical and Physical Properties

【Appearance】
White Solid
【Density】
g/cm3
【Melting Point】
242-245 °C
【Boiling Point】
523°Cat760mmHg
【Vapour】
9.65E-13mmHg at 25°C
【Flash Point】
270.1°C
【Computed Properties】
Molecular Weight:373.87316 [g/mol]
Molecular Formula:C21H24ClNO3
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:5
Exact Mass:373.144471
MonoIsotopic Mass:373.144471
Topological Polar Surface Area:49.8
Heavy Atom Count:26
Formal Charge:0
Complexity:488
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)
- Anti-inflammatory agents that are not steroids. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They are used primarily in the treatment of chronic arthritic conditions and certain soft tissue disorders associated with pain and inflammation. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. Certain NSAIDs also may inhibit lipoxygenase enzymes or TYPE C PHOSPHOLIPASES or may modulate T-cell function. (AMA Drug Evaluations Annual, 1994, p 1814-5)
- A class of non-sedating drugs that bind to but do not activate histamine receptors (DRUG INVERSE AGONISM), thereby blocking the actions of histamine or histamine agonists. These antihistamines represent a heterogenous group of compounds with differing chemical structures, adverse effects, distribution, and metabolism. Compared to the early (first generation) antihistamines, these non-sedating antihistamines have greater receptor specificity, lower penetration of BLOOD-BRAIN BARRIER, and are less likely to cause drowsiness or psychomotor impairment.

Supplier Location

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Diamond member Nanjing Bangnuo Biotechnology Co., Ltd.
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Telephone:86-21-33758180
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