AG00ID35

80012-43-7 | 3-amino-9,13b-dihydro-1h-dibenz[c,f]imidazo[1,5-a]azepine

AG00ID35

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CAS Number	80012-43-7
Catalog Number	AG00ID35(AGN-PC-0WQWKL)
Chemical Name	3-amino-9,13b-dihydro-1h-dibenz[c,f]imidazo[1,5-a]azepine
EC Number	616-785-3
IUPAC Name	2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine
InChI	InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
InChI Key	WHWZLSFABNNENI-UHFFFAOYSA-N
MDL Number	MFCD00865648
Molecular Formula	C16H15N3
Molecular Weight	249.3104
SMILES	NC1=NCC2N1C1=C(CC3=C2C=CC=C3)C=CC=C1
Synonyms	3-amino-9,13b-dihydro-1H-benz(c,f)imidazo(1,5a)azepine, epinastine, epinastine hydrochloride, Flurinol, WAL 80, WAL 801, WAL 801 CL, WAL 801CL, WAL-80 Cl, epinastine, 80012-43-7, Epinastina, Epinastinum, Epinastinum [Latin], Epinastina [Spanish], (+-)-Epinastine, Elestat, Epinastine [INN], WAL 801, Epinastine (INN), CHEMBL1106, UNII-79UN26Y71B, UNII-5HDI847257, 3-Amino-9,13b-dihydro-1H-dibenz(c,f)imidazo(1,5-a)azepine, 9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine, CHEBI:51032, 79UN26Y71B, C16H15N3, Relestat, 5HDI847257, 3-Amino-9,13b-dihydro-1H-dibenz[c,f]imidazo[1,5-a]azepine, 1H-Dibenz(c,f)imidazo(1,5-a)azepin-3-amino, 9,13b-dihydro-, WAL-80 Cl, Purivist (TN), WAL 80, Epinastine [INN:BAN], NCGC00165791-02, Epinastin, D-Epinastine, (+)-Epinastine, (-)-Epinastine, Epinastine, (+)-, Epinastine, (-)-, PubChem1941, 3-amino-9,13b-dihydro-1H-benz(c,f)imidazo(1,5a)azepine, AC1L1FHQ, EC 616-785-3, SCHEMBL18794, GTPL7176, DTXSID2048371, 9,13b-Dihydro-1H-dibenz(c,f)imidazo(1,5a)azepin-3-amin, WHWZLSFABNNENI-UHFFFAOYSA-N, BCP28446, EBD33196, HY-B0640, BDBM50131441, BG0567, MFCD00865648, AKOS015895203, CS-2876, DB00751, VA10819, MRF-0000757, NCGC00165791-01, NCGC00165791-03, AC-24691, AK343447, AN-36536, AS-12835, BC209783, CC-27488, SC-46510, AB0007497, LS-177526, FT-0630877, D07900, 012E437, C-15322, L000716, I06-0349, 1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine,9,13b-dihydro-, 1H-Dibenz(c,f)imidazo(1,5-a)azepin-3-amine, 9,13b-dihydro-, (+)-, 1H-Dibenz(c,f)imidazo(1,5-a)azepin-3-amine, 9,13b-dihydro-, (-)-, 134507-57-6, 134507-58-7, 2,4-diazatetracyclo[12.4.0.0;{2,6}.0;{7,12}]octadeca-1(14),3,7(12),8,10,15,17-heptaen-3-amine, Flurinol, Purivist, Alesion, Stattic, Epinastine base, Epinastine HCl, Epinastine hydrochloride, Relestat (TN), Elestat (TN), (+/-)-Epinastine, WAL 801CL, UNII-Q13WX941EF, D0DV3O, WAL 801 CL, Q13WX941EF, CID3241, C16-H15-N3, Benzo[b]thiophene, 6-nitro-, 1,1-dioxide, 1621B, C053090, 3-amino-9,13b-dihydro-1H-di-benz[c,f]imidazo[1,5-a]azepine, 9,13b-Dihydro-1H-dibenz-nu[c,f]imidazo[1,5-a]azepin-3-amine, 19983-44-9, 80012-44-8,

Complexity	378
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.127g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.317g/mol
Monoisotopic Mass	249.127g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H411
Packing Group	Ⅲ
Precautionary statements	P273-P280
UN Code	UN 3077

Certificate of Analysis

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