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42399-41-7

Basic Information
CAS No.: 42399-41-7
Name: 1,5-Benzothiazepin-4(5H)-one,3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-,(2S,3S)-
Molecular Structure:
Molecular Structure of 42399-41-7 (1,5-Benzothiazepin-4(5H)-one,3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-,(2S,3S)-)
Formula: C22H26N2O4S
Molecular Weight: 414.52
Synonyms: 1,5-Benzothiazepin-4(5H)-one,3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-,(2S-cis)-;(+)-Diltiazem;(+)-cis-Diltiazem;Balcor;Cartia XT;Coras;Dilzem;Dilzem retard;d-Diltiazem;d-cis-Diltiazem;
EINECS: 255-796-4
Density: 1.26 g/cm3
Melting Point:
Boiling Point: 594.4 °C at 760 mmHg
Flash Point: 313.3 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 84.38000
LogP: 3.43350
Downstream Products
84903-82-2
42399-40-6
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    diltiazem

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Chemistry

IUPAC Name: [(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate 
Empirical Formula: C22H26N2O4S
Molecular Weight: 414.5178g/mol
 EINECS: 255-796-4
Structure of Diltiazem (CAS NO.42399-41-7):

Index of Refraction: 1.62
Molar Refractivity: 115.15 cm3
Molar Volume: 327.6 cm3
Polarizability: 45.65×10-24cm3
Surface Tension: 56.2 dyne/cm
Density: 1.26 g/cm3
Flash Point: 313.3 °C
Enthalpy of Vaporization: 88.6 kJ/mol
Boiling Point: 594.4 °C at 760 mmHg
Vapour Pressure: 4.27E-14 mmHg at 25°C 
Classification Code :Antihypertensive agents, Calcium channel blockers, Cardiovascular agents, Drug / Therapeutic Agent, Membrane Transport Modulators, Vasodilator agents 
Canonical SMILES: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
Isomeric SMILES: CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H26N2O4S/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/t20-,21+/m1/s1
InChIKey: HSUGRBWQSSZJOP-RTWAWAEBSA-N

Uses

  Diltiazem (CAS NO.42399-41-7) is a non-dihydropyridine (DHP) member of the group of drugs known as benzothiazepines, which are a class of calcium channel blockers, used in the treatment of hypertension, angina pectoris, and some types of arrhythmia. It is also an effective preventive medication for migraine. It is a class 3 anti-anginal drug, and a class IV antiarrhythmic. It is a common adulterant of cocaine seized in the UK , despite reducing cocaine cravings in rats (see below). It incites very minimal reflex sympathetic changes.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 68mg/kg (68mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE

BLOOD: CHANGES IN PLATELET COUNT
Journal of Toxicology, Clinical Toxicology. Vol. 33, Pg. 273, 1995.
mouse LD50 intravenous 61mg/kg (61mg/kg)   Japanese Journal of Toxicology. Vol. 4, Pg. 121, 1991.
mouse LD50 oral 740mg/kg (740mg/kg)   Japanese Journal of Toxicology. Vol. 4, Pg. 121, 1991.
mouse LDLo intraperitoneal 220mg/kg (220mg/kg)   Indian Journal of Experimental Biology. Vol. 34, Pg. 1194, 1996.

Specification

  Diltiazem , its cas register number is 42399-41-7. It also can be called Acalix ; Adizem ; Anoheal ; BRN 3573079 ; CRD-401 ; Cardil ; Cardizem ; Cardizem LA ; Dilacor XR ; Dilcontin ; Dilren ; Dilta-Hexal ; Diltiazem ; Diltiazemum ; Dilticard ; Dilzen  ; Endrydil ; HSDB 6528 ; Incoril AP ; UNII-EE92BBP03H ; d-cis-Diltiazem .

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