2-((R)-4-Oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-phenyl-butyric acid ethyl ester is a complex organic compound with a molecular formula of C22H23NO4S. It is a derivative of benzo[b][1,4]thiazepine, a heterocyclic compound with a benzene ring fused to a thiazine ring. The molecule features a 4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamine group, which is attached to a 4-phenylbutyric acid moiety through an amide linkage. The carboxylic acid group of the butyric acid is esterified with ethanol, resulting in an ethyl ester. 2-((R)-4-Oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-phenyl-butyric acid ethyl ester is known for its potential therapeutic applications, particularly as a selective serotonin reuptake inhibitor (SSRI), which can be used to treat various psychiatric disorders such as depression and anxiety. Its chiral center at the R-configuration is crucial for its biological activity, ensuring that it interacts specifically with the target receptors in the body.
94590-59-7
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Basic information
- Product Name: 2-((R)-4-Oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-phenyl-butyric acid ethyl ester
- Synonyms:
- CAS NO:94590-59-7
- Molecular Formula:
- Molecular Weight: 384.499
- EINECS: N/A
- Product Categories: N/A
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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: 2-((R)-4-Oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-phenyl-butyric acid ethyl ester(CAS DataBase Reference)
- NIST Chemistry Reference: 2-((R)-4-Oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-phenyl-butyric acid ethyl ester(94590-59-7)
- EPA Substance Registry System: 2-((R)-4-Oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-phenyl-butyric acid ethyl ester(94590-59-7)
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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: 94590-59-7(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 94590-59-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,4,5,9 and 0 respectively; the second part has 2 digits, 5 and 9 respectively.Calculate Digit Verification of CAS Registry Number 94590-59:
(7*9)+(6*4)+(5*5)+(4*9)+(3*0)+(2*5)+(1*9)=167
167 % 10 = 7
So 94590-59-7 is a valid CAS Registry Number.
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2-((R)-4-Oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-phenyl-butyric acid ethyl ester
