820218-22-2
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Basic information
- Product Name: 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2-(2-carboxy-4-fluorobenzoyl)-1-(2,3-difluorophenyl)-2,3,4,9-tetrahydro-, (3R)-
- Synonyms:
- CAS NO:820218-22-2
- Molecular Formula: C26H17F3N2O5
- Molecular Weight:
- EINECS: N/A
- Product Categories: N/A
- Mol File: 820218-22-2.mol
- Article Data: 0
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Chemical Properties
- Melting Point: N/A
- Boiling Point: N/A
- Flash Point: N/A
- Appearance: N/A
- Density: N/A
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2-(2-carboxy-4-fluorobenzoyl)-1-(2,3-difluorophenyl)-2,3,4,9-tetrahydro-, (3R)-(CAS DataBase Reference)
- NIST Chemistry Reference: 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2-(2-carboxy-4-fluorobenzoyl)-1-(2,3-difluorophenyl)-2,3,4,9-tetrahydro-, (3R)-(820218-22-2)
- EPA Substance Registry System: 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2-(2-carboxy-4-fluorobenzoyl)-1-(2,3-difluorophenyl)-2,3,4,9-tetrahydro-, (3R)-(820218-22-2)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 820218-22-2(Hazardous Substances Data)
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Molecular Structure
The compound has a complex molecular structure that includes a pyridoindole ring system, a carboxylic acid group, a 2-carboxy-4-fluorobenzoyl group, and a 2,3-difluorophenyl group.Pyridoindole Ring System
The pyridoindole ring system is a core structure of the compound, which consists of a fused indole ring and a pyridine ring.Carboxylic Acid Group
The carboxylic acid group (-COOH) is a functional group present in the compound, which is known for its acidic properties and ability to form hydrogen bonds.2-Carboxy-4-Fluorobenzoyl Group
This group (-C(OH)(F)C6H4-C(O)-) is a benzoyl derivative with a carboxylic acid and a fluorine atom attached to the benzene ring, which can influence the compound's properties and reactivity.2,3-Difluorophenyl Group
This group (C6H3F2) consists of a phenyl ring with two fluorine atoms attached to it, which can affect the compound's lipophilicity and electronic properties.3R Stereochemistry
The compound has a 3R stereochemistry, which means that the chiral center at the 3-position has an (R) configuration. Stereochemistry is crucial for the compound's biological activity and selectivity.Pharmacological and Biological Properties
The compound may exhibit pharmacological and biological properties, making it potentially useful in medicinal or research applications.Medicinal and Research Applications
Due to its complex structure and various functional groups, the compound could be used in the development of new drugs or as a research tool to study biological processes.Check Digit Verification of cas no
The CAS Registry Mumber 820218-22-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,2,0,2,1 and 8 respectively; the second part has 2 digits, 2 and 2 respectively.Calculate Digit Verification of CAS Registry Number 820218-22:
(8*8)+(7*2)+(6*0)+(5*2)+(4*1)+(3*8)+(2*2)+(1*2)=122
122 % 10 = 2
So 820218-22-2 is a valid CAS Registry Number.
820218-22-2Upstream product
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1H-Pyrido[3,4-b]indole-3-carboxylic acid,
2-(2-carboxy-4-fluorobenzoyl)-1-(2,3-difluorophenyl)-2,3,4,9-tetrahydro-,
(3R)-
