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Levosemotiadil

CAT: 0931-T25701-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25701-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116476-16-5
Target
LDL, Calcium Channel, Others, Sodium Channel
Related Pathways
Others, Metabolism, Membrane transporter/Ion channel
Purity
0.9947
Bioactivity
Levosemotiadil (SA 3212) is a novel calcium antagonist and a very potent inhibitor of low-density lipoprotein oxidation.Levosemotiadil may be used to prevent lethal cardiac arrhythmias.
Smiles
O(CCCN(CCOC=1C=C2C(=CC1)OCO2)C)C3=C(C=C(OC)C=C3)[C@@H]4SC=5C(N(C)C4=O)=CC=CC5
Molecular Formula
C29H32N2O6S
Molecular Weight
536.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Levosemotiadil

Levosemotiadil is a small molecule drug. The usage of the INN stem '-dil' in the name indicates that Levosemotiadil is a vasodilator. Levosemotiadil has a monoisotopic molecular weight of 536.2 Da.

CAS Number116476-16-5
PubChem CID9852564
IUPAC Name(2S)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one
Molecular FormulaC29H32N2O6S
Molecular Weight536.6
XLogP5.1
Topological Polar Surface Area95
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity761
SMILES
CN1C2=CC=CC=C2S[C@H](C1=O)C3=C(C=CC(=C3)OC)OCCCN(C)CCOC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C29H32N2O6S/c1-30(14-16-34-21-10-12-25-26(18-21)37-19-36-25)13-6-15-35-24-11-9-20(33-3)17-22(24)28-29(32)31(2)23-7-4-5-8-27(23)38-28/h4-5,7-12,17-18,28H,6,13-16,19H2,1-3H3/t28-/m0/s1
InChIKey
RKXVEXUAWGRFNP-NDEPHWFRSA-N
Chemical Structure
2D Structure
2D structure of Levosemotiadil
CAS: 116476-16-5
CID: 9852564
Formula: C29H32N2O6S
MW: 536.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.6
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass536.19810792
Monoisotopic Mass536.19810792
Topological Polar Surface Area95 Ų
Heavy Atom Count38
Formal Charge0
Complexity761
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M34095-01Levosemotiadil

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