(2S,3S)-5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride (1:1)

Basic Information

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CAS Number

33286-22-5

Molecular Formula

C22H27ClN2O4S

Molecular Weight

450.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

210°C

Boiling Point

594.4°C at 760 mmHg

Density

1.26

Refractive Index

118 ° (C=1, H2O)

Vapor Pressure

No data available

Specific Rotation

+114.0° - +122.0° (c=1, H2O)

SMILES

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CC(=O)OC1C(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

LogP

3.790300000000003

Topological Polar Surface Area

59.080000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

565

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 in male, female mice, male, female rats (mg/kg): 61, 58, 38, 39 i.v.; 260, 280, 520, 550 s.c.; 740, 640, 560, 610 orally (Nagao, 1972)

Synonyms & References

English

MFCD00069252
Diltiazem Eu Rho
Dilacor XR (TN)
2-[(2S,3S)-3-(acetyloxy)-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium chloride
Pazeadin
DILTIAZEM HYDROCHLORIDE [USAN]
AS-13703
Diltiazem Hydrochloride 1.0 mg/ml in Acetonitrile (as free base)
Adizem
Dilcard
Cardil
Britiazim
Hesor
Tildiem LA
Diltiazem Hydrochloride Extended Release
D3662
3,3,3-phosphinylidynetrispropionamide
Adizem-CD
DTXSID8040147
WL Diltiazem
Longazem
(+)-cis-Diltiazem Hydrochloride, >/=98%
DILTIAZEM HYDROCHLORIDE [USP MONOGRAPH]
Diltiazem Hydrochloride Extended-release
Farmabes
TIAZACEXTENDED RELEASE
SLV-324
33286-22-5 (HCl)
Uni-Masdil
Dilzene
Novo-Diltazem

MDL Number

MFCD00069252

Customs Code

2934999090

FAQ

What is (2S,3S)-5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride (CAS: 33286-22-5)?

This compound is a benzothiazepine derivative with a dimethylaminoethyl, methoxyphenyl, and acetyl group. It exists as a hydrochloride salt (1:1) and is characterized by its chiral centers (2S,3S) and molecular structure, making it relevant in pharmaceutical research for its potential biological activity and stability in aqueous solutions.

What are the main uses of (2S,3S)-5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride (CAS: 33286-22-5)?

This compound is primarily used in pharmaceutical research as an intermediate for drug development, particularly in the synthesis of analgesics and sedatives. Its unique structure may also find applications in medicinal chemistry for targeting specific receptors, though specific commercial uses are not widely documented.

Is (2S,3S)-5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride (CAS: 33286-22-5) safe?

Safety depends on handling protocols. As a hydrochloride salt, it may exhibit irritant properties. Always use appropriate PPE, avoid inhalation or skin contact, and follow OSHA and GHS guidelines. Consult safety data sheets for detailed toxicity information and proper disposal methods.

How should (2S,3S)-5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride (CAS: 33286-22-5) be stored?

Store in a sealed, cool (2-8°C), dry, and light-protected container. Keep away from moisture and incompatible substances. Ensure stability by maintaining controlled humidity levels and avoiding exposure to air to prevent degradation of its active chemical components.