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A 39355

CAT: 0931-T26417-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26417-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144092-66-0
Target
Others, Calcium Channel
Related Pathways
Metabolism, Others, Membrane transporter/Ion channel
Bioactivity
A 39355 may specifically overcome multidrug resistance without the serious hypotensive effects associated with calcium antagonists.
Smiles
Cl.Cl.COc1ccccc1N1CCN(CCCn2c3CCCCCCc3c3ccccc23)CC1
Molecular Formula
C28H39Cl2N3O
Molecular Weight
504.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A 39355

may specifically overcome multidrug resistance without the serious hypotensive effects associated with calcium antagonists; structure given in first source

CAS Number144092-66-0
PubChem CID132600
IUPAC Name5-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole;dihydrochloride
Molecular FormulaC28H39Cl2N3
Molecular Weight488.5
Topological Polar Surface Area11.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity542
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCCN3C4=C(CCCCCC4)C5=CC=CC=C53.Cl.Cl
InChI
InChI=1S/C28H37N3.2ClH/c1-23-11-6-8-14-26(23)30-21-19-29(20-22-30)17-10-18-31-27-15-5-3-2-4-12-24(27)25-13-7-9-16-28(25)31;;/h6-9,11,13-14,16H,2-5,10,12,15,17-22H2,1H3;2*1H
InChIKey
TWYBOKIFZOCLCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 39355
CAS: 144092-66-0
CID: 132600
Formula: C28H39Cl2N3
MW: 488.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass487.2521036
Monoisotopic Mass487.2521036
Topological Polar Surface Area11.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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