CAS No.42399-41-7,1,5-Benzothiazepin-4(5H)-one,3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-,(2S,3S)- Suppliers,MSDS download

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Molecular Structure:
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)-
Article Data:	19
Cas Database

Formula:	C₂₂H₂₆N₂O₄S
Molecular Weight:	414.525
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:	N/A
Boiling Point:	594.4 °C at 760 mmHg
Flash Point:	313.3 °C
Solubility:	N/A
Appearance:	N/A
Hazard Symbols:	N/A
Risk Codes:	N/A
Safety:
Transport Information:	N/A
PSA:	84.38000
LogP:	3.43350

Raw Materials

696-62-8

108-24-7

137-07-5

33286-22-5

Downstream Products

42399-40-6

84903-82-2

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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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