AG003NU2

549-18-8 | 5-(3-(Dimethylamino)propylidene) dibenzosuberane HCl

AG003NU2

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CAS Number	549-18-8
Catalog Number	AG003NU2(AGN-PC-0SIARF)
Chemical Name	5-(3-(Dimethylamino)propylidene) dibenzosuberane HCl
EC Number	208-964-6
IUPAC Name	N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;hydrochloride
InChI	InChI=1S/C20H23N.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;/h3-6,8-12H,7,13-15H2,1-2H3;1H
InChI Key	KFYRPLNVJVHZGT-UHFFFAOYSA-N
MDL Number	MFCD00012537
Molecular Formula	C20H24ClN
Molecular Weight	313.8643
SMILES	CN(C)CC/C=C1C2=CC=CC=C2CCC3=CC=CC=C13.[H]Cl
UNII	26LUD4JO9K
Synonyms	Amineurin, Amitrip, Amitriptylin beta, Amitriptylin Desitin, Amitriptylin neuraxpharm, Amitriptylin RPh, Amitriptylin-neuraxpharm, Amitriptyline, Amitriptyline Hydrochloride, Amitrol, Anapsique, Apo Amitriptyline, Apo-Amitriptyline, Damilen, Desitin, Amitriptylin, Domical, Elavil, Endep, Laroxyl, Lentizol, Novoprotect, RPh, Amitriptylin, Saroten, Sarotex, Syneudon, Triptafen, Tryptanol, Tryptine, Tryptizol, Amitriptyline hydrochloride, 549-18-8, Amitriptyline HCl, Annoyltin, Tryptizol, Domical, Lentizol, Saroten, Elavil hydrochloride, Amineurin, Amitrip, Anapsique, Syneudon, Tryptine, Amavil, Endep, Ami-Anelun, Apo-Amitriptyline, Daprimen, Elatrolet, Maxivalet, Miketorin, Mitaptyline, Novoprotect, Rantoron, Sarotena, Trepiline, Triptizol, Trytomer, Vanatrip, Yamanouchi, Amilit, Amiplin, Amiprin, Amitid, Amyline, Amyzol, Belpax, Elatrol, Enafon, Etrafon, Etravil, Kyliran, Laroxyl, Larozyl, Levate, Pinsanu, Pinsaun, Teperin, Triavil, Tridep, Tripta, Trynol, Damilen hydrochloride, Amitriptyline chloride, Saroten Retard, Tryptizol retard, Tryptacap hydrochloride, ADT-Zimaia, Oasil-M, Novotriptyn, Nornaln, Proheptadien monohydrochloride, sk-Amitriptyline chloride, CCRIS 7092, UNII-26LUD4JO9K, Amitriptyline (hydrochloride), EINECS 208-964-6, Amitryptiline hydrochloride, MFCD00012537, NIH 10794, NSC 104210, 26LUD4JO9K, Annolytin, MLS000028437, Sylvemid, component of Etrafon, component of Triavil, AK162589, CPD000058368, SMR000058368, Amitryptyline hydrochloride, 5-(3-Dimethylaminopropylidene)dibenzo(a,d)(1,4)cycloheptadiene hydrochloride, C20H24ClN, DSSTox_CID_13187, DSSTox_RID_79055, DSSTox_GSID_33187, 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride, 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-delta(sup 5,gamma)-propylamine hydrochloride, W-105596, 1-propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride, 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride (1:1), 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine hydrochloride, 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-dimethyl-, hydrochloride, NSC169910, WLN: L C676 BY&T&J BU3N1&1 &GH, SR-01000003046, NCGC00015095-09, CAS-549-18-8, Amilent, Amicen, Euplit, Uxen, 5-(3-Dimethylaminopropylidene)dibenzo[a,4]cycloheptadiene hydrochloride, 5-[3-(Dimethylamino)propylidene]dibenzo[a,4]cycloheptadiene hydrochloride, 1-Propanamine,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride, 5-(3-Dimethylaminopropylidene)dibenzo[a,d][1,4]cycloheptadiene hydrochloride, 5H-Dibenzo[a,.gamma.-propylamine, 10,11-dihydro-N,N-dimethyl-, hydrochloride, 5H-Dibenzo[a,.gamma.-propylamine, 10,11-dihydro-N,N-dimethyl-,hydrochloride, Amitriptyline hydrochloride [JAN], Prestwick_20, 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride (1:1), 3-(10,11-dihydro-5h-dibenzo[a,d]cycloheptene-5-ylidene)-n,n-dimethyl-1-propanamine hydrochloride, 3-(5,6-dihydrodibenzo[2,1-b:1',2'-e][7]annulen-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride, DRG-0169, Elavil (TN), Amitriptyline hydrochloride [USP:JAN], PubChem21398, Opera_ID_618, Nortriptyline Impurity F, AC1L1WJE, amitriptyline-hydrochloride, Amitryptylline hydrochloride, AC1Q38XC, SCHEMBL41079, MLS001055393, MLS001074176, MLS002222152, SPECTRUM1500117, REGID_for_CID_11065, CHEBI:2667, CHEMBL1200964, DTXSID9033187, HY-B0527A, Amitriptyline Hydrochloride ,(S), Amitriptyline hydrochloride, 99%, KFYRPLNVJVHZGT-UHFFFAOYSA-N, ZX-AFC003121, HMS1568O09, HMS1920C13, Pharmakon1600-01500117, 549-18-8(hcl), KS-00000FN4, Tox21_113122, Tox21_201278, Tox21_303612, Tox21_500112, BG0033, BI3855, CCG-38919, NSC104210, NSC755869, s3183, AKOS015994716, Tox21_113122_1, API0001458, CS-2751, KS-1291, LP00112, NC00497, NSC-104210, NSC-169910, NSC-755869, Amitriptyline hydrochloride (JP17/USP), Amitriptyline;Amitriptyline hydrochloride, NCGC00015095-15, NCGC00024433-03, NCGC00024433-05, NCGC00093609-01, NCGC00093609-02, NCGC00093609-03, NCGC00093609-04, NCGC00093609-05, NCGC00257393-01, NCGC00258830-01, NCGC00260797-01, AN-23652, H905, LS-60749, SAM002554886, AB0013348, AX8114039, A0908, EU-0100112, FT-0662108, ST24045948, SW196337-3, A 8404, A16404, D00809, J10484, Amitriptyline hydrochloride, >=98% (TLC), powder, SR-01000003046-2, SR-01000003046-6, 5-(3-(Dimethylamino)propylidene) dibenzosuberane HCl, F0001-1443, 5-[3-(Dimethylamino)propylidene]dibenzosuberane hydrochloride, Amitriptyline Hydrochloride 1.0 mg/ml in Methanol (as free base), Amitriptyline hydrochloride, drug standard, 1.0 mg/mL in methanol, Amitriptyline hydrochloride, British Pharmacopoeia (BP) Reference Standard, Amitriptyline hydrochloride, European Pharmacopoeia (EP) Reference Standard, Amitriptyline hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material, Amitriptyline hydrochloride, United States Pharmacopeia (USP) Reference Standard, 10,11-Dihydro-N,N-dimethyl-5H-dibenzo[a,d]cycloheptene-Delta5,gamma-propylamine hydrochloride, 3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethyl-1-propanamine hydrochloride, 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine hydrochloride, 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-dimethyl-,hydrochloride, 5H-Dibenzo(a,d)cycloheptene-delta5,gamma-propylamine, 10,11-dihydro-N,N-dimethyl-, hydrochloride, 5H-Dibenzo(a,d)cycloheptene-delta5,gamma-propylamine, 10,11-dihydro-N,N-dimethyl-, hydrochloride (8CI), 5H-Dibenzo[a,d]cycloheptene-Delta(sup5),gamma-propylamine, 10,11-dihydro-N,N-dimethyl-, hydrochloride, 5H-Dibenzo[a,d]cycloheptene-Delta5,gamma-propylamine, 10,11-dihydro-N,N-dimethyl-, hydrochloride (6CI,8CI), Amitriptyline hydrochloride solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, dimethyl({3-[(2Z)-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine hydrochloride, dimethyl({3-[(2Z)-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene]propyl})amine hydrochloride, Elavil, amitriptyline, Adepril, Amitril, Redomex, Deprex, Limbitrol, Sarotex, Limbitrol DS, Tryptanol, Triptafen, Amitrol, Damilen, Lantron, Pantrop, Tryptal, Etrafon-Forte, Mixture Name, Amitriptylin beta, Amitriptylin RPh, Etrafon-A, Apo Amitriptyline, RPh, Amitriptylin, Amitriptylin Desitin, Desitin, Amitriptylin, Amitriptylin neuraxpharm, Amitriptylin-neuraxpharm, C15H9ClN2O2, C20H23N.ClH, ETRAFON 2-10, ETRAFON 2-25, TRIAVIL 2-10, TRIAVIL 2-25, TRIAVIL 4-10, TRIAVIL 4-25, TRIAVIL 4-50, HSDB 3007, C20-H23-N.Cl-H, Perphenazine and Amitriptyline Hcl, CID11065, CS-O-30865, Ro 4-1575, B2231, CHLORDIAZEPOXIDE AND AMITRIPTYLINE HCL, D000639, 50-48-6, 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-, 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[ a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride, Amitriptyline hydrochloride, 98%, a dibenzocycloheptene-derivative tricyclic antidepressant (TCA) - 25G 25g,

Complexity	331
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	313.16g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	313.869g/mol
Monoisotopic Mass	313.16g/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	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number