Products for Research Use Only

Desacetyl Diltiazem-d4

CAT: 1459-CS-T-52081Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1459-CS-T-52081Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Desacetyl Diltiazem-d4 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Diltiazem. The product is supplied by Clearsynth under CAT No. CS-T-52081. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
112259-40-2
Synonyms
Desacetyl Diltiazem-d4
Molecular Formula
C 20 H 20 D 4 N 2 O 3 S
Molecular Weight
376.5
Additionnal Information
Desacetyl Diltiazem-d4 is supplied with detailed characterization data compliant with regulatory guideline. Desacetyl Diltiazem-d4 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Diltiazem.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Desacetyl Diltiazem-d4
CAS Number112259-40-2
PubChem CID71315569
IUPAC Name(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[1,1,2,2-tetradeuterio-2-(dimethylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one
Molecular FormulaC20H24N2O3S
Molecular Weight376.5
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])(C([2H])([2H])N(C)C)N1C2=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/i12D2,13D2
InChIKey
NZHUXMZTSSZXSB-AKZXBINPSA-N
Chemical Structure
2D Structure
2D structure of Desacetyl Diltiazem-d4
CAS: 112259-40-2
CID: 71315569
Formula: C20H24N2O3S
MW: 376.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight376.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass376.17587079
Monoisotopic Mass376.17587079
Topological Polar Surface Area78.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity468
Isotope Atom Count4
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes