AG001CHK

140462-76-6 | Dibenz[b,e]oxepin-2-acetic acid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, hydrochloride (1:1), (11Z)-

AG001CHK

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CAS Number	140462-76-6
Catalog Number	AG001CHK(AGN-PC-0PPNTN)
Chemical Name	Dibenz[b,e]oxepin-2-acetic acid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, hydrochloride (1:1), (11Z)-
EC Number	604-185-4
IUPAC Name	2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;hydrochloride
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-;
InChI Key	HVRLZEKDTUEKQH-NOILCQHBSA-N
MDL Number	MFCD00875716
Molecular Formula	C21H24ClNO3
Molecular Weight	373.8732
SMILES	O=C(O)CC1=CC=C(C/2=C1)OCC3=CC=CC=C3C2=CCCN(C)C.[H]Cl
UNII	2XG66W44KF
Synonyms	11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenz(b,e)oxepin-2-acetic acid, 4679, KW, Hydrochloride, Olopatadine, KW 4679, KW 4943A, KW-4679, KW-4943A, KW4943A, olopatadine, olopatadine hydrochloride, Patanol, OLOPATADINE HCl, OLOPATADINE HYDROCHLORIDE, 140462-76-6, Pataday, Allelock, Patanase, Opatanol, ALO4943A, Olopatadine (hydrochloride), UNII-2XG66W44KF, Pazeo, KW 4679, 2XG66W44KF, KW-4679, AL-4943A, KW4679, MFCD00875716, (Z)-2-(11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid hydrochloride, ALO-4943A, DSSTox_CID_26486, DSSTox_RID_81657, DSSTox_GSID_46486, Olopine, Patadine, Olopax, CHEMBL1719, 11-((Z)-3-(Dimethylamino)propylidene)-6,11-dihydrodibenz(b,e)oxepin-2-acetic acid hydrochloride, 11-((Z)-3-(Dimethylamino)propylidene)-6,11-dihydrodibenz(b,e)oxepin-2-acetic acid, hydrochloride, Dibenz(b,e)oxepin-2-acetic acid, 11-(3-(dimethylamino)propylidene)-6,11-dihydro-, hydrochloride, (Z)-, Dibenz(b,e)oxepin-2-acetic acid, 11-(3-dimethylamino)propylidene)-6,11-dihydro-, hydrochloride, (Z)-, Dibenz[b,e]oxepin-2-acetic acid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, hydrochloride (1:1), (11Z)-, CAS-140462-76-6, Opatanol (TN), SR-01000763388, ALO 4943A, Allelock (TN), (Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid hydrochloride ;Olopatadine HCL, Patanol (TN), DE 114, Olopatadine hydrochloride [USAN:USP], Olopatadine Hydrochlorde, PubChem18816, O-PPDS, NCGC00164623-01, HCl of KW 4679, AC1NR00D, SCHEMBL23213, MLS001401465, DTXSID0046486, CHEBI:31933, HY-B0426A, HVRLZEKDTUEKQH-NOILCQHBSA-N, Opatanol;Pataday;Patanase;Allelock, Olopatadine-hydrochloride(Opatanol), (11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid hydrochloride, 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;hydrochloride, EX-A1347, Olopatadine hydrochloride (Opatanol), Tox21_112242, s2494, AKOS015895232, AKOS025149118, Tox21_112242_1, BCP9001022, CCG-101141, CS-2532, H06O056, KS-1228, NC00391, Olopatadine hydrochloride (JP17/USAN), NCGC00263532-01, CPD000469220, LS-61598, Olopatadine hydrochloride tablets (JP17), SAM001246802, SMR000469220, Olopatadine hydrochloride, >=98% (HPLC), AB0107085, AB2000599, TL8000904, O0361, D01192, C-21208, Q-201511, SR-01000763388-4, Olopatadine hydrochloride, United States Pharmacopeia (USP) Reference Standard, (Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydro-dibenz[b,e]oxepin-2-acetic acid hydrochloride, [(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 hydrochloride, 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid hydrochloride, Patanol, Olopatadine, C21H23NO3.HCl, Olopatadine hydrochloride [USAN], C21-H23-N-O3.Cl-H, ACN-040212, CID5282402, B1576, A10671, 113806-05-6,

Complexity	488
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	373.144g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	373.877g/mol
Monoisotopic Mass	373.144g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H400
Packing Group	Ⅲ
Precautionary statements	P273-P301+P310
UN Code	UN 2811

Certificate of Analysis

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