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Fadaltran

CAT: 0804-HY-109130Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-109130Size:1 Each
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Description
Fadaltran (BAY 1193397) is an orally active α2C-adrenoreceptor antagonist. Fadaltran can be used for the study of diabetic foot ulcers[1].
CAS Number
1799809-36-1
Product Name Alternative
BAY 1193397
UNSPSC
12352005
Target
Adrenergic Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Metabolic Disease
Smiles
O=C(N1CCC(N2CC3=C(C=CC=C3)CC2)CC1)C4=CN=C(N(C5)CC65COC6)N=C4
Molecular Formula
C24H29N5O2
Molecular Weight
419.52
References & Citations
[1]Kapsa S, et al. Pharmacokinetics, Safety, and Tolerability of the α2C -Adrenoreceptor Antagonist BAY 1193397 in Healthy Male Subjects. Clin Pharmacol Drug Dev. 2022 Mar;11 (3) :296-308.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
α adrenergic receptor

Chemical Information

Fadaltran

Fadaltran is a small molecule drug. Fadaltran has a monoisotopic molecular weight of 419.23 Da.

CAS Number1799809-36-1
PubChem CID91810363
IUPAC Name[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-yl]methanone
Molecular FormulaC24H29N5O2
Molecular Weight419.5
XLogP1.8
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity646
SMILES
C1CN(CCC1N2CCC3=CC=CC=C3C2)C(=O)C4=CN=C(N=C4)N5CC6(C5)COC6
InChI
InChI=1S/C24H29N5O2/c30-22(20-11-25-23(26-12-20)29-14-24(15-29)16-31-17-24)27-9-6-21(7-10-27)28-8-5-18-3-1-2-4-19(18)13-28/h1-4,11-12,21H,5-10,13-17H2
InChIKey
QFUYPQVPOWDETM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fadaltran
CAS: 1799809-36-1
CID: 91810363
Formula: C24H29N5O2
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass419.23212518
Monoisotopic Mass419.23212518
Topological Polar Surface Area61.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5812717Fadaltran

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