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Tamsulosin-d4

CAT: 0804-HY-B0661SSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-B0661SSize:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tamsulosin-d4 ((R) - (-) -YM12617 (free base) -d4) is deuterium labeled Tamsulosin. Tamsulosin ((R) - (-) -YM12617 free base) is an inhibitor of α1-adrenergic receptor. Tamsulosin is used for the research of prostatic hyperplasia. Tamsulosin attenuates abdominal aortic aneurysm growth in animal models[1][2].
CAS Number
1231943-97-7
Product Name Alternative
(R) - (-) -YM12617 (free base) -d4; LY253351 (free base) -d4
UNSPSC
12352005
Target
Adrenergic Receptor; Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Metabolic Enzyme/Protease; Neuronal Signaling; Others
Field of Research
Cancer; Endocrinology; Neurological Disease
Smiles
NS(=O)(C1=C(C=CC(C[C@@H](C)NC([2H])([2H])C([2H])([2H])OC2=C(C=CC=C2)OCC)=C1)OC)=O
Molecular Formula
C20H24D4N2O5S
Molecular Weight
412.54
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Christopher Chapple, et al. Tamsulosin: an overview. World J Urol. 2002 Apr;19 (6) :397-404.|[3]William G. Montgomery, BA, et al. Tamsulosin Attenuates Abdominal Aortic Aneurysm Growth. Surgery. 2018 Nov; 164 (5) : 1087–1092.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Tamsulosin-d4 (hydrochloride)
CAS Number1231943-97-7
PubChem CID91927751
IUPAC Name2-methoxy-5-[(2R)-2-[[1,1,2,2-tetradeuterio-2-(2-ethoxyphenoxy)ethyl]amino]propyl]benzenesulfonamide;hydrochloride
Molecular FormulaC20H29ClN2O5S
Molecular Weight449.0
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity539
SMILES
[2H]C([2H])(C([2H])([2H])OC1=CC=CC=C1OCC)N[C@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.Cl
InChI
InChI=1S/C20H28N2O5S.ClH/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24;/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24);1H/t15-;/m1./s1/i11D2,12D2;
InChIKey
ZZIZZTHXZRDOFM-PRPOIGJMSA-N
Chemical Structure
2D Structure
2D structure of Tamsulosin-d4 (hydrochloride)
CAS: 1231943-97-7
CID: 91927751
Formula: C20H29ClN2O5S
MW: 449.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass448.1736779
Monoisotopic Mass448.1736779
Topological Polar Surface Area108 Ų
Heavy Atom Count29
Formal Charge0
Complexity539
Isotope Atom Count4
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CS-O-00895Tamsulosin-d4
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TRC-T006756-50MG(S)-Tamsulosin-d4 Hydrochloride
CS-O-46411N-Nitroso Tamsulosin-d4
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TRC-T006362-25MGTamsulosin Sulfonic Acid-d4
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