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10-(piperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,9,12,14-heptaene dihydrochloride

10-(piperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,9,12,14-heptaene dihydrochloride

CAS: 111974-74-4

Formula: C17H19Cl2N3S

SMILES: Cl.Cl.C1CN(CCN1)C1=NC2=CC=CC=C2SC2=C1C=CC=C2

IUPAC: 10-(piperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,9,12,14-heptaene dihydrochloride

InChI: InChI=1S/C17H17N3S.2ClH/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15;;/h1-8,18H,9-12H2;2*1H

Composition: C (55.44%), H (5.20%), Cl (19.25%), N (11.41%), S (8.70%)

Molar Mass: 368.32

Atom Count: 42

Heavy Atom Count: 23

Properties
Properties
Common Names norquetiapine dihydrochloride
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 367.0676742
Formal Charge 0
FSP3 0.24
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PZQCQHZDUIIKFU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.45
Topological Polar Surface Area 27.63
Polarizability 34.09
Ring Count 4
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 111974-74-4 $11.39-$76.59$11.39$23.81$76.59
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 111974-74-4 $18.40-$146.05$18.40$19.55$35.65$146.05
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