AG00I837

41354-29-4 | Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride, hydrate (2:2:3)

AG00I837

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CAS Number	41354-29-4
Catalog Number	AG00I837(AGN-PC-0RQDAD)
Chemical Name	Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride, hydrate (2:2:3)
IUPAC Name	1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine;trihydrate;dihydrochloride
InChI	InChI=1S/2C21H21N.2ClH.3H2O/c2*1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;;;;;/h2*2-11H,12-15H2,1H3;2*1H;3*1H2
InChI Key	ZEAUHIZSRUAMQG-UHFFFAOYSA-N
MDL Number	MFCD00150043
Molecular Formula	C42H50Cl2N2O3
Molecular Weight	701.7640
SMILES	CN4CC/C(CC4)=C2C1=CC=CC=C1C=CC3=CC=CC=C/23.[H]Cl.[H]O[H].CN8CC/C(CC8)=C6C5=CC=CC=C5C=CC7=CC=CC=C/67.[H]Cl.[H]O[H].[H]O[H]
UNII	NJ82J0F8QC
Synonyms	Antergan, Cyproheptadine, Dihexazin, Periactin, Peritol, Viternum, 41354-29-4, Cyproheptadine hydrochloride sesquihydrate, UNII-NJ82J0F8QC, NJ82J0F8QC, Peritol, Cyproheptadine hydrochloride hydrate(2:2:3), 4-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidine hydrochloride sesquihydrate, 4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine hydrochloride sesquihydrate, Cyproheptadine hydrocloride, Periactin (TN), 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methylpiperidine;trihydrate;dihydrochloride, Cyproheptadine (hydrochloride sesquihydrate), Piperidine, 4-(5H-dibenzo(a,d)-cycloheten-5-ylidene)-1-methyl-, hydrochloride, sesquihydrate, Piperidine, 4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-methyl-, hydrochloride, sesquihydrate, Cyproheptadine hydrochloride [USAN:USP:JAN], KS-00000FZD, DTXSID70274175, CHEBI:650917, MFCD27967225, AKOS030524187, DS-3310, Cyproheptadine hydrochloride (JP17/USP), AK601828, CC-26168, D02234, C-20638, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine hydrochloride--water (2/3), 4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-piperidine hydrochloride hydrate pound 2:2:3 pound(c), Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-,hydrochloride, hydrate (2:3), Periactin, Cyproheptadine Hcl, cyproheptadine hydrochloride, CYPROHEPTADINE, Periactin hydrochloride, C21H21N.ClH.1.5H2O, 41354-29-4 (HCl hydrate), Cyproheptadine hydrochloride [USP:JAN], CID11954233, Cyproheptadine hydrochloride [USAN:JAN], C21-H21-N.Cl-H.1.5H2-O, 3763H, Cyproheptadine hydrochloride sesquihydrate, 99% - 25G 25g, Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride, hydrate (2:3), Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride, sesquihydrate,

Complexity	423
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	7
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	700.32g/mol
Formal Charge	0
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	701.773g/mol
Monoisotopic Mass	700.32g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	9.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number