Products for Research Use Only
RegisterLogin

Diltiazem-d3 hydrochloride

CAT: 0926-SYB62380-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-SYB62380-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1217623-80-7
Smiles
CC (=O) OC1C (SC2=CC=CC=C2N (C1=O) CCN (C) C) C3=CC=C (C=C3) OC.Cl
Molecular Formula
C22H27ClN2O4S
Molecular Weight
454 g/mol
Controlled
No

Chemical Information

Diltiazem-d3 Hydrochloride
CAS Number1217623-80-7
PubChem CID45039052
IUPAC Name[(2S,3S)-2-(4-methoxyphenyl)-5-[2-[methyl(trideuteriomethyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride
Molecular FormulaC22H27ClN2O4S
Molecular Weight454.0
Topological Polar Surface Area84.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity565
SMILES
[2H]C([2H])([2H])N(C)CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)OC(=O)C)C3=CC=C(C=C3)OC.Cl
InChI
InChI=1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m1./s1/i2D3;
InChIKey
HDRXZJPWHTXQRI-ZOFGQJPPSA-N
Chemical Structure
2D Structure
2D structure of Diltiazem-d3 Hydrochloride
CAS: 1217623-80-7
CID: 45039052
Formula: C22H27ClN2O4S
MW: 454.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass453.1568365
Monoisotopic Mass453.1568365
Topological Polar Surface Area84.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity565
Isotope Atom Count3
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
FD22157-01Diltiazem hydrochloride
YAA51545-01Desacetyl diltiazem hydrochloride
FD21741-01N, N-Didesmethyl diltiazem hydrochloride
BD166408Diltiazem
HHC06402-01Trifluoperazine-d3 hydrochloride
FT183977-01Thiamine-d3 hydrochloride
BC181325-01Cyclobenzaprine-D3 hydrochloride
PXB92112-01Pyridoxine-d3 hydrochloride
LCA08618-01Noralfentanil-d3 hydrochloride
FDC26604-01Ramosetron-d3 hydrochloride

Alternative Products

CatalogName
CS-T-90224Diltiazem-d3 Hydrochloride
HY-14656S-01Diltiazem-d3 (hydrochloride)
HY-14656S1-01Diltiazem- (acetoxy-d3) (hydrochloride)
MBS6062943-01N-Desmethyl Diltiazem-d3 Hydrochloride
MBS3604119-01Diltiazem hydrochloride
HY-14656-01Diltiazem (hydrochloride)
MBS6026061-01Desacetyl Diltiazem-d3
AR-D01856-01Diltiazem-d3 HCl

Popular Products