3-{3-[{[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride (1:1)

Basic Information

View in Editor

CAS Number

148849-67-6

Molecular Formula

C27H37ClN2O5

Molecular Weight

505.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Physical State

Powder

Melting Point

140°C

Boiling Point

626.9°C at 760 mmHg

Flash Point

332.9°C

Solubility

H2O: ≥5mg/mL (warmed)

Specific Rotation

58921 +7.8°; 36521 +27.8° (c = 1% in DMSO)

SMILES

View in Editor

CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CC3CC4=CC(=C(C=C34)OC)OC.Cl

InChI

InChI=1S/C27H36N2O5.ClH/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30;/h12-14,16,21H,6-11,15,17H2,1-5H3;1H/t21-;/m1./s1

InChIKey

HLUKNZUABFFNQS-ZMBIFBSDSA-N

LogP

3.731800000000003

Topological Polar Surface Area

60.47000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

663

Safety Information

View Safety Information

GHS Hazard Pictograms

H400

Hazard Statement

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

IVABRADINE HYDROCHLORIDE [JAN]
BCP05218
Coralan
(7,8-Dimethoxy 3-(3-(((1S)-(4,5-dimethoxybenzocyclobutan-1-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-2H-benzazepin-2-one hydrochloride
AM20090729
3-[3-({[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino)propyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one hydrochloride
S-16260-2
3-{3-[{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one--hydrogen chloride (1/1)
Ivabradinehydrochloride
Ivabradine hydrochloride [USAN]
(+)-S16257
148849-67-6 (HCl)
s2086
MFCD00929899
3-[3-[[[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one Hydrochloride
CCG-269739
HY-B0162A
Ivabradine (hydrochloride)
2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, hydrochloride (1:1)
UNII-TP19837BZK
IVABRADINE HYDROCHLORIDE [EMA EPAR]
s16257
Coralan (TN)
J-008523
NCGC00181343-01
Procoralan
Ivabradine hydrochloride- Bio-X
N-{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}-3-(7,8-dimethoxy-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-N-methylpropan-1-aminium chloride
Ivabradine hydrochloride, >=98% (HPLC)
Ivabradine hydrochloride (JAN/USAN)
3-(3-((((7S)-3,4-Dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)(methyl)amino)propyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one monohydrochloride

MDL Number

MFCD00929899

FAQ

What is 3-{3-[{[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride (1:1) (CAS: 148849-67-6)?

3-{3-[{[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride (1:1), with CAS number 148849-67-6, is a complex organic compound containing a 3-benzazepin-2-one ring and a bicyclo[4.2.0]octa-1,3,5-triene structure. It is a hydrochloride salt, which enhances its solubility and stability, making it suitable for pharmaceutical applications. The compound is characterized by its molecular complexity and potential biological activity.

What are the main uses of 3-{3-[{[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride (1:1) (CAS: 148849-67-6)?

This compound is primarily used in pharmaceutical research for its potential pharmacological properties, particularly in the development of drugs targeting central nervous system disorders. It may also find applications in medicinal chemistry as a structural analog or intermediate in the synthesis of bioactive compounds. Its use in industrial or food sectors is limited due to its specialized nature and potential for biological activity.

Is 3-{3-[{[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride (1:1) (CAS: 148849-67-6) safe?

Safety information for this compound is limited, but as it is a pharmaceutical intermediate, it should be handled with appropriate precautions. Users should wear personal protective equipment (PPE) such as gloves, goggles, and lab coats. It is important to follow safety guidelines for chemical handling, especially in laboratory settings. Long-term toxicity data is not widely available, so caution is advised during use and disposal.

How should 3-{3-[{[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride (1:1) (CAS: 148849-67-6) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. It should be kept in a sealed, airtight container to prevent moisture absorption and maintain its chemical integrity. Avoid exposure to light and air to ensure stability. Proper storage is essential to preserve its potency and safety for use in research or pharmaceutical applications.