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111581-85-2

(4S,7S,12bR)-7-[(1S)-1-carboxy-3-phenylpropyl]amino-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepine-4-carboxylic acid, also known as carboxyphenylpropylaminoanitash, is a complex chemical compound with the molecular formula C25H27N3O5. It belongs to the class of pyrido[2,1-a][2]benzazepine-4-carboxylic acids and is a derivative of the neurotransmitter serotonin. This synthetic compound features a carboxylic acid group and an amino group connected to a phenylpropyl moiety, and it holds potential pharmacological properties, making it a subject of interest for research in psychopharmacology and medicinal chemistry.

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  • Pyrido[2,1-a][2]benzazepine-4-carboxylicacid,7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1,2,3,4,6,7,8,12b-octahydro-6-oxo-,(4S,7S,12bR)-

    Cas No: 111581-85-2

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  • (4S,7S,12bR)-7-{[(1S)-1-carboxy-3-phenylpropyl]amino}-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepine-4-carboxylic acid

    Cas No: 111581-85-2

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  • Pyrido[2,1-a][2]benzazepine-4-carboxylicacid,7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1,2,3,4,6,7,8,12b-octahydro-6-oxo-,(4S,7S,12bR)-

    Cas No: 111581-85-2

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  • 111581-85-2 Structure

  • Basic information

    1. Product Name: (4S,7S,12bR)-7-{[(1S)-1-carboxy-3-phenylpropyl]amino}-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepine-4-carboxylic acid
    2. Synonyms:
    3. CAS NO:111581-85-2
    4. Molecular Formula: C25H28N2O5
    5. Molecular Weight: 436.5002
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 111581-85-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 708.7°C at 760 mmHg
    3. Flash Point: 382.4°C
    4. Appearance: N/A
    5. Density: 1.34g/cm3
    6. Vapor Pressure: 4.45E-21mmHg at 25°C
    7. Refractive Index: 1.647
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (4S,7S,12bR)-7-{[(1S)-1-carboxy-3-phenylpropyl]amino}-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepine-4-carboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: (4S,7S,12bR)-7-{[(1S)-1-carboxy-3-phenylpropyl]amino}-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepine-4-carboxylic acid(111581-85-2)
    12. EPA Substance Registry System: (4S,7S,12bR)-7-{[(1S)-1-carboxy-3-phenylpropyl]amino}-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepine-4-carboxylic acid(111581-85-2)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 111581-85-2(Hazardous Substances Data)

111581-85-2 Usage

Uses

Used in Psychopharmacology Research:
(4S,7S,12bR)-7-[(1S)-1-carboxy-3-phenylpropyl]amino-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepine-4-carboxylic acid is used as a research compound for exploring its potential pharmacological properties and applications in the field of psychopharmacology. Its structural similarity to serotonin suggests that it may have effects on mood, behavior, and cognitive functions, making it a valuable tool for understanding the underlying mechanisms of various psychiatric disorders and the development of novel therapeutic agents.
Used in Medicinal Chemistry:
In the realm of medicinal chemistry, (4S,7S,12bR)-7-[(1S)-1-carboxy-3-phenylpropyl]amino-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepine-4-carboxylic acid serves as a starting point for the design and synthesis of new drugs targeting the serotonin system. Its unique structure allows for the development of selective and potent ligands that can modulate serotonin receptors, potentially leading to the creation of more effective treatments for a range of conditions, including depression, anxiety, and other mood disorders.
Used in Drug Delivery Systems:
Similar to gallotannin, (4S,7S,12bR)-7-[(1S)-1-carboxy-3-phenylpropyl]amino-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepine-4-carboxylic acid may also benefit from novel drug delivery systems to enhance its applications and efficacy. By employing various organic and metallic nanoparticles as carriers, the compound's delivery, bioavailability, and therapeutic outcomes can be improved, potentially leading to more effective treatments for the conditions it targets.

Check Digit Verification of cas no

The CAS Registry Mumber 111581-85-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,1,5,8 and 1 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 111581-85:
(8*1)+(7*1)+(6*1)+(5*5)+(4*8)+(3*1)+(2*8)+(1*5)=102
102 % 10 = 2
So 111581-85-2 is a valid CAS Registry Number.

111581-85-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (4S,7S,12bR)-7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid

1.2 Other means of identification

Product number -
Other names Pyrido(2,1-a)(2)benzazepine-4-carboxylic acid,7-((1-carboxy-3-phenylpropyl)amino)-1,2,3,4,6,7,8,12a-octahydro-6-oxo-,(4S-(4alpha,7alpha(R*),12bbeta))

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:111581-85-2 SDS

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