The chemical "2-((R)-9-Carboxymethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cycloptahe[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester; hydrochloride" is a complex organic compound with a molecular formula of C27H31ClN2O5S. It is a derivative of the cyclohepta[f]inden-7-ylamine class of compounds, featuring a 9-carboxymethyl-8-oxo-hexahydro-5-thia-9-aza-cyclohepta[f]inden-7-ylamine moiety. 2-((R)-9-Carboxymethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester; hydrochloride is characterized by its ethyl ester group and a phenylbutyric acid structure, which contribute to its pharmacological properties. It is commonly used in the pharmaceutical industry, particularly as an active ingredient in medications designed to treat various central nervous system disorders. The hydrochloride salt form enhances its solubility and bioavailability, making it more suitable for oral administration.
98413-49-1
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Basic information
- Product Name: 2-((R)-9-Carboxymethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester; hydrochloride
- Synonyms:
- CAS NO:98413-49-1
- Molecular Formula:
- Molecular Weight: 519.062
- 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)-9-Carboxymethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester; hydrochloride(CAS DataBase Reference)
- NIST Chemistry Reference: 2-((R)-9-Carboxymethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester; hydrochloride(98413-49-1)
- EPA Substance Registry System: 2-((R)-9-Carboxymethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester; hydrochloride(98413-49-1)
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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: 98413-49-1(Hazardous Substances Data)
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98413-49-1 Usage
Check Digit Verification of cas no
The CAS Registry Mumber 98413-49-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,8,4,1 and 3 respectively; the second part has 2 digits, 4 and 9 respectively.Calculate Digit Verification of CAS Registry Number 98413-49:
(7*9)+(6*8)+(5*4)+(4*1)+(3*3)+(2*4)+(1*9)=161
161 % 10 = 1
So 98413-49-1 is a valid CAS Registry Number.
98413-49-1Upstream product
- 98413-45-7 2-((R)-9-tert-Butoxycarbonylmethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester
- 2021-28-5 ethyl dihydrocinnamate
- 710-11-2 2-oxo-4-phenylbutyric acid
- 52957-66-1 5-amino-6-nitroindane
- 64920-29-2 2-oxo-4-phenylbutanoic acid ethyl ester
- 98413-14-0 (R)-2-Amino-3-(6-nitro-indan-5-ylsulfanyl)-propionic acid
- 98413-31-1 ((R)-7-Amino-8-oxo-2,3,7,8-tetrahydro-1H,6H-5-thia-9-aza-cyclohepta[f]inden-9-yl)-acetic acid tert-butyl ester
- 98413-23-1 2-((R)-8-Oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-yl)-isoindole-1,3-dione
- 98413-19-5 (R)-2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(6-nitro-indan-5-ylsulfanyl)-propionic acid
- 98413-27-5 [(R)-7-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-8-oxo-2,3,7,8-tetrahydro-1H,6H-5-thia-9-aza-cyclohepta[f]inden-9-yl]-acetic acid tert-butyl ester
98413-49-1Downstream Products
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2-((R)-9-Carboxymethyl-8-oxo-2,3,6,7,8,9-hexahydro-1H-5-thia-9-aza-cyclohepta[f]inden-7-ylamino)-4-phenyl-butyric acid ethyl ester; hydrochloride
