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Desacetyl Diltiazem-d3

CAT: 0804-HY-126182S2-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-126182S2-01Size:1 mg
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Description
Desacetyl Diltiazem-d3 is the deuterium labeled Desacetyl Diltiazem[1].
CAS Number
1246815-32-6
Product Name Alternative
Desacetyl diltiazem-d3; (2S) -2- (4-Methoxyphenyl) -3β-hydroxy-5-[2- (dimethylamino) ethyl]-2,3-dihydro-1,5-benzothiazepine-4 (5H) -one-d3
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])N(C)CCN1C2=CC=CC=C2S[C@](C3=CC=C(C=C3)OC)([H])[C@H](C1=O)O
Molecular Formula
C20H21D3N2O3S
Molecular Weight
375.50
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Desacetyl Diltiazem-d3
CAS Number1246815-32-6
PubChem CID71315570
IUPAC Name(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-[methyl(trideuteriomethyl)amino]ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one
Molecular FormulaC20H24N2O3S
Molecular Weight375.5
XLogP2.5
Topological Polar Surface Area78.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity468
SMILES
[2H]C([2H])([2H])N(C)CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3/t18-,19+/m1/s1/i1D3
InChIKey
NZHUXMZTSSZXSB-JYDNCUBTSA-N
Chemical Structure
2D Structure
2D structure of Desacetyl Diltiazem-d3
CAS: 1246815-32-6
CID: 71315570
Formula: C20H24N2O3S
MW: 375.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass375.16959404
Monoisotopic Mass375.16959404
Topological Polar Surface Area78.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity468
Isotope Atom Count3
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-143834SO-Desacetyl-N-desmethyl Diltiazem-d3
HY-126182S4Desacetyl Diltiazem-d4 (hydrochloride)
HY-14656S-01Diltiazem-d3 (hydrochloride)
HY-14656S1-01Diltiazem- (acetoxy-d3) (hydrochloride)
HY-125587S-0125-Desacetyl Rifampicin-d3
HY-B0632-01Diltiazem
HY-B0632S-01Diltiazem-d6
HY-14656-01Diltiazem (hydrochloride)
HY-B0632R-01Diltiazem (Standard)
HY-B0632ADiltiazem (malate)

Alternative Products

CatalogName
MBS6026061-01Desacetyl Diltiazem-d3
AR-D07112-01Desacetyl Diltiazem-d3 HCl
TRC-D288685-25MGDesacetyl Diltiazem
CS-O-16816O-Desacetyl N-Desmethyl Diltiazem-d3
CS-T-52081Desacetyl Diltiazem-d4
MBS6031008-01Desacetyl Diltiazem-d6
sc-500216Desacetyl Diltiazem Hydrochloride

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