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Soluflazine

CAT: 0931-T16907-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T16907-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112415-83-5
Target
Others
Related Pathways
Others
Bioactivity
Soluflazine is a nucleoside transport inhibitor. It also has anticonvulsant action.
Smiles
Cl.Cl.NC(=O)C1CN(CC(=O)Nc2c(Cl)cccc2Cl)CCN1CCCC(c1ccc(F)cc1)c1cccnc1
Molecular Formula
C28H32Cl4FN5O2
Molecular Weight
631.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Soluflazine

nucleoside transport inhibitor; analog of mioflazine

CAS Number112415-83-5
PubChem CID163885
IUPAC Name4-[2-(2,6-dichloroanilino)-2-oxoethyl]-1-[4-(4-fluorophenyl)-4-pyridin-3-ylbutyl]piperazine-2-carboxamide;dihydrochloride
Molecular FormulaC28H32Cl4FN5O2
Molecular Weight631.4
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity762
SMILES
C1CN(C(CN1CC(=O)NC2=C(C=CC=C2Cl)Cl)C(=O)N)CCCC(C3=CC=C(C=C3)F)C4=CN=CC=C4.Cl.Cl
InChI
InChI=1S/C28H30Cl2FN5O2.2ClH/c29-23-6-1-7-24(30)27(23)34-26(37)18-35-14-15-36(25(17-35)28(32)38)13-3-5-22(20-4-2-12-33-16-20)19-8-10-21(31)11-9-19;;/h1-2,4,6-12,16,22,25H,3,5,13-15,17-18H2,(H2,32,38)(H,34,37);2*1H
InChIKey
KQZLAOQGNIIITJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Soluflazine
CAS: 112415-83-5
CID: 163885
Formula: C28H32Cl4FN5O2
MW: 631.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight631.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass631.126464
Monoisotopic Mass629.129414
Topological Polar Surface Area91.6 Ų
Heavy Atom Count40
Formal Charge0
Complexity762
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Alternative Products

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GTR19203080-01Soluflazine
A18968-50Soluflazine 50mg
A18968-10Soluflazine 10mg
A18968-25Soluflazine 25mg
A18968-100Soluflazine 100mg
A18968-1Soluflazine 1mg
A18968-5Soluflazine 5mg

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