(1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone

Basic Information

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CAS Number

1313363-54-0

Molecular Formula

C38H47ClN4O4

Molecular Weight

659.27 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

Solubility

Insuluble (1.6E-4 g/L) (25 ºC),

SMILES

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CC(Oc1c(cc2c(c1)[C@@H](N(C(=O)C2)c3ccc(cc3)N(C[C@H]4CC[C@@H](CC4)N5CC(=O)N(CC5)C)C)c6ccc(cc6)Cl)OC)C

InChI

InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/m0/s1

InChIKey

CLRSLRWKONPSRQ-IIPSPAQQSA-N

LogP

6.583500000000007

Topological Polar Surface Area

65.56 Å²

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

1040

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

NVP-CGM097
CGM097
CGM-097
NVP CGM097
CGM 097
(S)-1-(4-Chlorophenyl)-7-Isopropoxy-6-Methoxy-2-(4-(Methyl(((1r,4s)-4-(4-Methyl-3-Oxopiperazin-1-Yl)cyclohexyl)methyl)amino)phenyl)-1,2-Dihydroisoquinolin-3(4h)-One
(S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-[methyl[4-(4-methyl-3-oxopiperazin-1-yl)-trans-cyclohexylmethyl]amino]phenyl)-1,4-dihydro-2H-isoquinolin-3-one
4UF6MSL0ZH
C38H47ClN4O4
KS-

MDL Number

MFCD28144684

FAQ

What regulatory guidelines apply to (1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone (CAS: 1313363-54-0)?

The compound, (1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone (CAS: 1313363-54-0), falls under the scope of various regulatory guidelines such as REACH for EU chemicals, GHS for classification and labeling, and FDA/EPA for safety and environmental regulations. It is important to consult the most recent regulatory databases and guidelines for specific requirements and updates.

Are there alternatives to (1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone (CAS: 1313363-54-0) in synthesis?

While (1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone (CAS: 1313363-54-0) may not have direct alternatives, chemists can explore related compounds with similar functional groups or chemical structures. Isomers, analogs, and alternative reagents such as methylated or substituted derivatives may serve as viable alternatives in certain synthesis processes.

What is the market or research trend for (1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone (CAS: 1313363-54-0)?

The market for (1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone (CAS: 1313363-54-0) is currently limited due to its specific chemical structure and potential applications. However, emerging research is focusing on its biological activities and potential therapeutic applications. Market trends suggest increasing demand in pharmaceutical research and development.

How should waste containing (1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone (CAS: 1313363-54-0) be handled?

Waste containing (1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone (CAS: 1313363-54-0) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is often a suitable method for handling this type of waste, with necessary precautions to prevent environmental contamination. Always ensure compliance with local, national, and international regulations regarding hazardous waste disposal.

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(1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone | CAS No. 1313363-54-0

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What regulatory guidelines apply to (1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone (CAS: 1313363-54-0)?

Are there alternatives to (1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone (CAS: 1313363-54-0) in synthesis?

What is the market or research trend for (1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone (CAS: 1313363-54-0)?

How should waste containing (1S)-1-(4-Chlorophenyl)-7-isopropoxy-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo-1-piperazinyl)cyclohexyl]methyl}amino)phenyl]-1,4-dihydro-3(2H)-isoquinolinone (CAS: 1313363-54-0) be handled?

Related Compounds

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