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Teroxalene hydrochloride

CAT: 0931-T34809-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34809-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3845-22-5
Target
Others, Parasite
Related Pathways
Microbiology/Virology, Others
Bioactivity
Teroxalene Hydrochloride is disubstituted piperazine used to treat animals with Schistosoma mansoni.
Smiles
Cl.ClC1=CC(=CC=C1C)N2CCN(CC2)CCCCCCOC3=CC=C(C=C3)C(C)(C)CC
Molecular Formula
C28H42Cl2N2O
Molecular Weight
493.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Teroxalene Hydrochloride
CAS Number3845-22-5
PubChem CID19704
IUPAC Name1-(3-chloro-4-methylphenyl)-4-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperazine;hydrochloride
Molecular FormulaC28H42Cl2N2O
Molecular Weight493.5
Topological Polar Surface Area15.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity512
SMILES
CCC(C)(C)C1=CC=C(C=C1)OCCCCCCN2CCN(CC2)C3=CC(=C(C=C3)C)Cl.Cl
InChI
InChI=1S/C28H41ClN2O.ClH/c1-5-28(3,4)24-11-14-26(15-12-24)32-21-9-7-6-8-16-30-17-19-31(20-18-30)25-13-10-23(2)27(29)22-25;/h10-15,22H,5-9,16-21H2,1-4H3;1H
InChIKey
GWLHCTMTLJQQKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Teroxalene Hydrochloride
CAS: 3845-22-5
CID: 19704
Formula: C28H42Cl2N2O
MW: 493.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass492.2674194
Monoisotopic Mass492.2674194
Topological Polar Surface Area15.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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