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

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 119 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P317, P318, P330, P405, P501

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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