AG00582N

82752-99-6 | 1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride

AG00582N

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CAS Number	82752-99-6
Catalog Number	AG00582N(AGN-PC-0UN3Z7)
Chemical Name	1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
IUPAC Name	2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one;hydrochloride
InChI	InChI=1S/C25H32ClN5O2.ClH/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22;/h3-6,8-11,20H,2,7,12-19H2,1H3;1H
InChI Key	DYCKFEBIOUQECE-UHFFFAOYSA-N
MDL Number	MFCD00935760
Molecular Formula	C25H33Cl2N5O2
Molecular Weight	506.4678
SMILES	O=C1N(CCCN2CCN(C3=CC=CC(Cl)=C3)CC2)N=C(CC)N1CCOC4=CC=CC=C4.[H]Cl
UNII	27X63J94GR
Synonyms	Apo-Nefazodone, Dutonin, Lin-Nefazodone, Menfazona, Nefadar, nefazodone, nefazodone hydrochloride, Rulivan, Serzone, NEFAZODONE HYDROCHLORIDE, 82752-99-6, Nefazodone Hcl, Dutonin, Serzone, Menfazona, Rulivan, Reseril, Nefazodone (hydrochloride), BMY 13754, 1-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)-3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5(4H)-one hydrochloride, BMY-13754, Nefadar, UNII-27X63J94GR, 2-[3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one hydrochloride, MJ-13754-1, CHEBI:7495, Nefazodone hydrochloride [USAN], MJ 13,754-1, 27X63J94GR, MFCD00935760, 1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta(sup 2)-1,2,4-triazolin-5-one monohydrochloride, BMY-13754-1, DSSTox_CID_26088, DSSTox_RID_81328, DSSTox_GSID_46088, 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one hydrochloride, C25H33Cl2N5O2, Nefazodone hydrochloride (USAN), 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl- 2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one hydrochloride, 3H-1,2,4-Triazol-3-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl))propyl)-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-, monohydrochloride, 3H-1,2,4-Triazol-3-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-, monohydrochloride, CPD000449297, SMR000449297, CAS-82752-99-6, NCGC00165846-02, Serazone, SR-01000759312, nefazodone-d5 hcl, nefazodone hydrochlo, 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one;hydrochloride, Serzone (TN), Nefazodone hydrochloride [USAN:USP], nefazodone-hydrochloride, Nefazodone(hydrochloride), 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride, AC1L1HZ6, C25H32ClN5O2.HCl, SCHEMBL41119, MLS000758241, MLS000759458, MLS001401457, CHEMBL1200492, DTXSID8046088, CTK8B4390, KS-00001FBT, DYCKFEBIOUQECE-UHFFFAOYSA-N, HY-B1396, Tox21_111735, Tox21_113574, ANW-44895, BG0403, AKOS015846321, Tox21_111735_1, AC-1373, API0003524, CCG-100923, CS-4860, KS-1088, NC00173, VA11367, BMY 13754-1, NCGC00165846-04, AK-72861, AN-14998, BR-72861, SAM001246653, SAM001247036, SC-18178, AB0012498, AX8232012, LS-156498, TL8005461, TR-025850, B7183, FT-0601548, MJ 13754-1, ST24021030, D00819, J10172, Nefazodone hydrochloride, >=98% (HPLC), solid, 752N996, A840427, I14-2088, SR-01000759312-6, Nefazodone Hydrochloride 1.0 mg/ml in Methanol (as free base), Nefazodone hydrochloride, United States Pharmacopeia (USP) Reference Standard, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3h-1,2,4-triaz, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one hydrochloride, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one hydrochloride, 2-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-5-ethyl-4-(2-phenoxy-ethyl)-2,4-dihydro-[1,2,4]triazol-3-one hydrochloride, nefazodone, Apo-Nefazodone, Lin-Nefazodone, C25H32ClN5O2.ClH, RALOXIFENE HYDROCHLORIDE, CID54911, C25-H32-Cl-N5-O2.Cl-H, NCGC00159517-02, N1030, C051752, 83366-66-9, 1-(3-(4-(3-Chlorophenyl)piperazin-1-yl)propyl)-3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5(4H)-one, 3H-1,2,4-triazol-3-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl))propyl-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-, 3H-1,2,4-Triazol-3-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-, monohydrochloride, 82640-04-8,

Complexity	649
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	505.201g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	506.472g/mol
Monoisotopic Mass	505.201g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	51.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number