AG002ZKJ

303-49-1 | 5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-

AG002ZKJ

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CAS Number	303-49-1
Catalog Number	AG002ZKJ(AGN-PC-0R5P7G)
Chemical Name	5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-
EC Number	206-144-2
IUPAC Name	3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
InChI	InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChI Key	GDLIGKIOYRNHDA-UHFFFAOYSA-N
MDL Number	MFCD00242755
Molecular Formula	C19H23ClN2
Molecular Weight	314.8523
NSC Number	169865
SMILES	CN(C)CCCN1C2=CC(Cl)=CC=C2CCC3=CC=CC=C31
UNII	NUV44L116D
Synonyms	Anafranil, Chlomipramine, Chlorimipramine, Clomipramine, Clomipramine Hydrochloride, Clomipramine Maleate (1:1), Clomipramine Monohydrochloride, Hydiphen, Hydrochloride, Clomipramine, Monohydrochloride, Clomipramine, clomipramine, Chlorimipramine, 303-49-1, Monochlorimipramine, 3-Chloroimipramine, Hydiphen, Anafranil base, Anafranil (free base), 3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine, Clomipramina, Clomipraminum, Clomipraminum [INN-Latin], Clomipramina [INN-Spanish], Clomipramine [INN:BAN], NSC 169865, UNII-NUV44L116D, 3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine, 5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-, Anafranil (TN), EINECS 206-144-2, G 34586, BRN 1323477, NUV44L116D, CHEBI:47780, 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, 5H-Dibenz(b,f)azepine, 10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)-, 5H-Dibenz(b,f)azepine, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-, 5H-Dibenz(b,f)azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-, 3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine, NCGC00015264-08, Chlomipramine, AK122641, DSSTox_CID_2844, 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine, DSSTox_RID_76755, DSSTox_GSID_22844, G-34586, 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine, 5H-Dibenz(b,f)azepine, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro- (8CI), CAS-303-49-1, Clomipramine (INN), CAS-17321-77-6, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine, HSDB 7746, 5H-Dibenz[b,f]azepine, 3-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-, CLOMIPRIMINE, PubChem17200, Spectrum_000444, Tocris-0457, AC1L1EHZ, Prestwick0_000269, Prestwick1_000269, Prestwick2_000269, Prestwick3_000269, Spectrum2_001729, Spectrum3_001707, Spectrum4_000350, Spectrum5_001235, Lopac-C-7291, Biomol-NT_000151, CHEMBL415, BIDD:PXR0151, Lopac0_000307, Oprea1_312582, SCHEMBL35423, BSPBio_000118, BSPBio_003294, KBioGR_000759, KBioSS_000924, 5-20-08-00103 (Beilstein Handbook Reference), cid_68539, DivK1c_000797, SPBio_001778, SPBio_002337, C14H12ClN.C6H15N, BPBio1_000130, BPBio1_000661, GTPL2398, DTXSID6022844, BDBM77970, KBio1_000797, KBio2_000924, KBio2_003492, KBio2_006060, KBio3_002514, ZINC20248, GDLIGKIOYRNHDA-UHFFFAOYSA-N, NINDS_000797, HMS3428J14, Tox21_110117, ACM303491, BBL028455, MFCD00242755, NSC169865, PDSP1_000241, PDSP2_000240, STK534842, 10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)-5H-dibenz(b,f)azepine, 3-chloro-10,11-dihydro-N,N-dimethyl-5H-Dibenz(b,f)azepine-5-propanamine, AKOS001487687, Tox21_110117_1, AB05476, API0002067, CCG-110307, DB01242, DS-6718, MCULE-6443168248, NSC-169865, IDI1_000797, NCGC00015264-01, NCGC00015264-02, NCGC00015264-03, NCGC00015264-04, NCGC00015264-05, NCGC00015264-06, NCGC00015264-07, NCGC00015264-09, NCGC00015264-10, NCGC00015264-13, NCGC00024355-02, NCGC00024355-04, NCGC00024355-05, AJ-08424, AN-44193, LS-60386, SC-80642, SY246341, SBI-0050295.P003, AX8246819, AB00053695, MFCD31699980 (95%), C06918, D07727, AB00053695-14, AB00053695_15, AB00053695_16, 303C491, L000890, 3-Chloro-5-[3-(dimethylamino)propyl]-10,f]azepine, 5H-Dibenz[b, 3-chloro-10,11-dihydro-N,N-dimethyl-, BRD-K52989797-001-01-1, BRD-K52989797-003-05-8, BRD-K52989797-003-16-5, WLN: T C676 BN & T & J B3N1 & 1 EG, 5H-Dibenz[b, 10,11-dihydro-3-chloro-5-[3-(dimethylamino)propyl]-, 5H-Dibenz[b, 3-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-, 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-dimethyl-amine;hydrochloride, 3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine #, 3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine, N,N-Dimethyl-7-chloro-10,11-dihydro-5H-dibenzo[b,f]azepine-5-propanamine-2,4-D2, N-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-N,N-dimethylamine, (3-{5-chloro-2-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)dimethylamine, 2241983-11-7, 3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine;hydrochloride, 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine;hydrochloride, Anafranil, Clomicalm, Clomipramine HCL, Clomipramine hydrochloride, D0ZS8P, Hydrochloride, Clomipramine, C19H23ClN2, Clomipramine Monohydrochloride, Clomipramine Maleate (1:1), MLS000028511, Monohydrochloride, Clomipramine, C19-H23-Cl-N2, CID2801, SMR000058295, C(CCN(C)C)N1c2ccccc2CCc3ccc(Cl)cc13, D002997, 3-Chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine, 3-CHLORO-10,11-DIHYDRO-N,N-DIMETHYL-5H-DIBENZ[B,F]AZEPINE-5-PROPANAMINE, 5H-Dibenz(b,f)azepine, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-(8CI), 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride, CXX,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	314.155g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	314.857g/mol
Monoisotopic Mass	314.155g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	6.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H227-H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

Lot Number