Molecule structure of Nafiverine dihydrochloride (CAS NO.5051-16-1):
IUPAC Name: 2-[4-[2-(2-Naphthalen-1-ylpropanoyloxy)ethyl]piperazin-1-yl]ethyl2-naphthalen-1-ylpropanoate dihydrochloride
Molecular Weight: 611.5984 g/mol
Molecular Formula: C34H40Cl2N2O4
Boiling Point: 670.9 °C at 760 mmHg
Flash Point: 359.5 °C
Enthalpy of Vaporization: 98.57 kJ/mol
Vapour Pressure: 7.36E-18 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 12
Exact Mass: 610.236513
MonoIsotopic Mass: 610.236513
Topological Polar Surface Area: 59.1
Heavy Atom Count: 42
Complexity: 746
Canonical SMILES: CC(C1=CC=CC2=CC=CC=C21)C(=O)OCCN3CCN(CC3)CCOC(=O)C(C)4=CC=CC5=CC=CC=C54.Cl.Cl
InChI: InChI=1S/C34H38N2O4.2ClH/c1-25(29-15-7-11-27-9-3-5-13-31(27)29)33(37)39-23-21-35-17-19-36(20-18-35)22-24-40-34(38)26(2)30-16-8-12-28-10-4-6-14-32(28)30;;/h3-16,25-26H,17-24H2,1-2H3;2*1H
InChIKey of Nafiverine dihydrochloride (CAS NO.5051-16-1): UFCQNKHWIMGGAQ-UHFFFAOYSA-N
1. | orl-rat LD50:5550 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 16 (1966),386. | ||
2. | ipr-mus LD50:331 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 16 (1966),386. | ||
3. | ivn-mus LD50:82 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 16 (1966),386. |
Poison by intraperitoneal and intravenous routes. Mildly toxic by ingestion. When heated to decomposition it emits very toxic fumes of HCl and NOx.
Nafiverine dihydrochloride (CAS NO.5051-16-1) is also named as 1,4-Piperazinediethanol alpha-methyl-1-naphthaleneacetate ester dihydrochloride ; 2,2'-(1,4-Piperazindiyl)diethylbis(alpha-methyl-1-naphtalinacetat) dihydrochloride ; N,N'-Bis(2-(alpha-(1-naphthyl)propionyloxy)ethyl)piperazin hydrochlorid ; N,N'-Di(alpha-(1-naphthyl)propionyloxy-2-ethyl)piperazine dihydrochloride ; Nafiverine HCl ; Naftimepezine ; 1-Naphthaleneacetic acid, alpha-methyl-, 1,4-piperazinediyldi-2,1-ethanediyl ester, dihydrochloride .
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