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Diltiazem hydrochloride

CAT: 0862-GP1599-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GP1599-25gSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33286-22-5
EC Number
251-443-3
MDL Number
MFCD00069252
HS Code
29349990
Purity
98.00%
Molecular Formula
C22H26N2O4S · HCl
Molecular Weight
450.98
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

Diltiazem Hydrochloride

Diltiazem Hydrochloride can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number33286-22-5
PubChem CID62920
IUPAC Name[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride
Molecular FormulaC22H27ClN2O4S
Molecular Weight451.0
Topological Polar Surface Area84.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity565
SMILES
CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)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
InChIKey
HDRXZJPWHTXQRI-BHDTVMLSSA-N
Chemical Structure
2D Structure
2D structure of Diltiazem Hydrochloride
CAS: 33286-22-5
CID: 62920
Formula: C22H27ClN2O4S
MW: 451.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass450.1380062
Monoisotopic Mass450.1380062
Topological Polar Surface Area84.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
MBS3604119-01Diltiazem hydrochloride
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HY-14656S-01Diltiazem-d3 (hydrochloride)
TRC-D460623-25MGDiltiazem-d4 Hydrochloride
HY-14656S2Diltiazem-d6 (hydrochloride)
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