chempirical

Diltiazem hydrochloride

C22H27ClN2O4SCAS 33286-22-5450.98 g/mol

Open in Covalent MOL file
OSNNOOOHCl
AmideEsterEtherLactamSulfideTertiary amine

Properties

Molecular formula
C22H27ClN2O4S
Molar mass
450.98 g/mol
Exact mass
450.1380 Da
Density
1.3 g/mL
Melting point
207.5–212 °C
logP
3.79Crippen estimate
Polar surface area
59.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
6
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
33286-22-5
SMILES
COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.Cl
InChIKey
HDRXZJPWHTXQRI-BHDTVMLSSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

42 names · show all
  • 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, hydrochloride (1:1), (2S,3S)-
  • 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (2S-cis)-
  • 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (2S,3S)-
  • CRD 401
  • d-cis-3-Acetoxy-2,3-dihydro-5-[2-(dimethylamino)ethyl]-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one hydrochloride
  • Herbesser
  • Tildiem
  • Masdil
  • (+)-Diltiazem hydrochloride
  • Cardizem
  • Blocalcin 60
  • (S,S)-Diltiazem hydrochloride
  • Tiazac
  • Kardil
  • Cardizem CD
  • Cardizem SR
  • Dilacor XR
  • Dilacor
  • Bruzem
  • Anginyl
  • Diladel
  • Dilpral
  • Dilrene
  • RG 83606
  • Angizem
  • Deltazen
  • Adizem
  • d-cis-Diltiazem hydrochloride
  • Altiazem
  • Dilzene
  • Citizem
  • Calcicard
  • Cormax
  • Britiazim
  • Dilcardia
  • Dilgard
  • Kaizem
  • Angipress
  • Dicard
  • (2S,3S)-(+)-cis-Diltiazem hydrochloride
  • Bi-teldiem
  • Dilzacard

Work with Diltiazem hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Diltiazem42399-41-7Free base

Similar compounds

(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one42399-49-534 % similar 4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyanoside14581-81-834 % similar 4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside2872-65-334 % similar Promazine hydrochloride53-60-131 % similar Venlafaxine hydrochloride99300-78-431 % similar Anisyl acetate104-21-231 % similar Anisomycin22862-76-631 % similar Pyrilamine maleate59-33-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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