AG003I5M

6202-23-9 | 3-(5H-Dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine hydrochloride

AG003I5M

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CAS Number	6202-23-9
Catalog Number	AG003I5M(AGN-PC-0T2LUK)
Chemical Name	3-(5H-Dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine hydrochloride
EC Number	228-264-4
IUPAC Name	N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine;hydrochloride
InChI	InChI=1S/C20H21N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-14H,7,15H2,1-2H3;1H
InChI Key	VXEAYBOGHINOKW-UHFFFAOYSA-N
MDL Number	MFCD00079039
Molecular Formula	C20H22ClN
Molecular Weight	311.8484
SMILES	Cl.C1=CC=CC=2C(C3=C(C=CC21)C=CC=C3)=CCCN(C)C
UNII	0VE05JYS2P
Synonyms	cyclobenzaprine, cyclobenzaprine hydrochloride, Flexeril, Lisseril, Cyclobenzaprine hydrochloride, 6202-23-9, Cyclobenzaprine HCL, Flexeril, Flexiban, Amrix, Lisseril, Cycloflex, Tensodox, Cloben, Cyben, Novo-Cycloprine, MK 130 hydrochloride, Proheptatriene hydrochloride, 3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine hydrochloride, Cyclobenzaprine (hydrochloride), Proheptatriene monohydrochloride, TNX-102, UNII-0VE05JYS2P, Proheptatrien monohydrochloride, Yurelax, EINECS 228-264-4, NSC 78206, NSC 169900, NSC 173379, 10,11delta-Amitriptyline hydrochloride, 0VE05JYS2P, CHEBI:3997, 5-(3-Dimethylaminopropylidene)dibenzo[a,e]cycloheptatriene hydrochloride, MFCD00079039, 5-(3-Dimethylaminopropylidene)-5H-dibenzo-(a,d)cycloheptene hydrochloride, Flexeril hydrochloride, 1-Propanamine, 3-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride, DSSTox_CID_25105, DSSTox_RID_80672, N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-delta(sup 5,gamma)-propylamine hydrochloride, DSSTox_GSID_45105, W-105056, Tabradol, Miosan, MK-130 HCl, Multi-Relax, 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(dimethyl)ammonium chloride, 5H-Dibenzo(a,d)cycloheptene-delta(sup 5)-gamma-propylamine, N,N-dimethyl-, hydrochloride, 10,11.delta.-Amitriptyline hydrochloride, WLN: L C676 BHJ B3N1&1 &GH, NSC78206, 5H-Dibenzo[a, N,N-dimethyl-, hydrochloride, MK-130, NSC-78206, NSC169900, NSC173379, SR-01000075761, CAS-6202-23-9, 5H-Dibenzo[a,.gamma.-propylamine, N,N-dimethyl-, hydrochloride, N,d]cycloheptene-.delta.,5.gamma.-propylamine, hydrochloride, Tonmya, 1-Propanamine,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride, N,d]cycloheptene-.delta.(sup5,.gamma.)-propylamine hydrochloride, 5-[3-(Dimethylamino)propylidene]-5H-dibenzo-[a,d]cycloheptene hydrochloride, 3-(dibenzo[2,1-b:1',2'-e][7]annulen-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride, cyclobenzaprine-hci, Flexeril (TN), Prestwick_790, Cyclobenzaprine hydrochloride [USAN], MK130 hydrochloride, PubChem15660, PubChem18912, Cyclobenzaprine hydrochloride [USAN:USP], Nortriptyline Impurity E, AC1L2KN5, C20H21N.HCl, SCHEMBL41376, MLS002153815, SPECTRUM1503207, TNX-102 SL, CHEMBL1200636, DTXSID2045105, CTK8F8847, TNX-105, VXEAYBOGHINOKW-UHFFFAOYSA-N, HMS1569I12, HMS1922I11, MK-130 [AS THE BASE], Pharmakon1600-01503207, ACT06294, BCP21781, Cyclobenzaprine hydrochloride (USP), EUR-1002, HY-B0740, Tox21_110040, Tox21_500303, CCG-39312, NSC758414, s4283, AKOS015906329, Tox21_110040_1, AC-1916, BCP9000565, CS-2981, LP00303, NSC-169900, NSC-173379, NSC-758414, SB19022, NCGC00013841-01, NCGC00013841-09, NCGC00093752-01, NCGC00093752-02, NCGC00093752-03, NCGC00093752-04, NCGC00093752-05, NCGC00095017-01, NCGC00095017-02, NCGC00095017-03, NCGC00095017-04, NCGC00260988-01, AK115687, AN-14454, AS-15745, CC-26027, LS-60768, Q517, SC-18388, SMR000326702, EU-0100303, FT-0603166, ST24041508, SW196928-3, A14255, C 4542, D00772, M-1230, 202C239, C-19294, SR-01000075761-1, SR-01000075761-6, Cyclobenzaprine Hydrochloride 1.0 mg/ml in Methanol (as free base), 3-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine Hydrochloride, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine hydrochloride, 5H-Dibenzo(a,d)cycloheptene-delta5,gamma-propylamine, N,N-dimethyl-, hydrochloride, 5H-Dibenzo(a,d)cycloheptene-delta5,gamma-propylamine, N,N-dimethyl-, hydrochloride (8CI), Cyclobenzaprine hydrochloride, European Pharmacopoeia (EP) Reference Standard, N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-Delta(5,gamma)-propylamine hydrochloride, Cyclobenzaprine hydrochloride solution, 1.0 mg/mL in methanol (as free base), ampule of 1 mL, certified reference material, cyclobenzaprine, CYCLOBENZAPRINEHCL, D0NN8N, C20H22ClN, C20H21N.ClH, Cyclobenzaprine very low dose, C20-H21-N.Cl-H, CID22576, ACN-037985, CS-O-07714, C3157, 303-53-7, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl(dimethyl)ammonium chloride, 1-Propanamine, 3-(5H-dibenzo[a,d]cyclohepten- 5-ylidene)-N,N-dimethyl-, hydrochloride, 1-Propanamine, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride, 5H-Dibenzo[a,d]cycloheptene-.DELTA.5,.gamma.-propylamine, N,N-dimethyl-, hydrochloride, Cyclobenzaprine hydrochloride, 98%, a peripherally-acting AAAD or DOPA decarboxylase inhibitor - 1G 1g,

Complexity	365
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	311.144g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	311.853g/mol
Monoisotopic Mass	311.144g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	3.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H312+H332
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number