Products for Research Use Only
RegisterLogin

Desacetyl Diltiazem-d4

CAT: 0572-TRC-D288682-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-D288682-2.5MGSize:2.5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
112259-40-2
Synonyms
(2S-cis)-5-[2-(Dimethylamino)ethyl-1,1,2,2-d4]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one;
Hazard Statement
No Data Available
Smiles
O[C@@H]1[C@H](C2=CC=C(OC)C=C2)SC3=C(C=CC=C3)N(C([2H])([2H])C([2H])([2H])N(C)C)C1=O
Molecular Formula
C20H20D4N2O3S
Molecular Weight
376.51
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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...
View on PubChemRaw 3D data
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

Related Products

CatalogName
TRC-D288685-25MGDesacetyl Diltiazem
TRC-D288685-5MGDesacetyl Diltiazem
TRC-D288685-10MGDesacetyl Diltiazem
TRC-D288687-10MGDesacetyl Diltiazem-d3
TRC-D288688-50MGDesacetyl Diltiazem-d6
TRC-D289335-25MGDesacetyl Diltiazem Hydrochloride
TRC-D288687-1MGDesacetyl Diltiazem-d3
TRC-D289335-100MGDesacetyl Diltiazem Hydrochloride
TRC-D288688-5MGDesacetyl Diltiazem-d6
TRC-D288686-100MGrac-cis-Desacetyl Diltiazem Hydrochloride

Alternative Products

CatalogName
CS-T-52081Desacetyl Diltiazem-d4
sc-500217Desacetyl Diltiazem-d4 Hydrochloride
AR-D01861-01Desacetyl Diltiazem-d4 HCl
HY-126182S4Desacetyl Diltiazem-d4 (hydrochloride)
271520-01Desacetyl diltiazem
MBS6026061-01Desacetyl Diltiazem-d3
MBS6031008-01Desacetyl Diltiazem-d6
sc-500216Desacetyl Diltiazem Hydrochloride
AR-D08061-01Diltiazem EP Impurity F (Desacetyl Diltiazem)
AR-D07112-01Desacetyl Diltiazem-d3 HCl

Popular Products