The chemical "2-((R)-5-Carboxymethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester; hydrochloride" is a complex organic compound with a molecular formula of C26H36N2O5S?HCl. It is a derivative of benzo[b][1,4]thiazepine, featuring a carboxylic acid group, an amino group, and a cyclohexyl ring. 2-((R)-5-Carboxymethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester; hydrochloride is known for its potential therapeutic applications, particularly as a modulator of certain receptors in the central nervous system. The hydrochloride salt form enhances its solubility and stability, which is often desirable for pharmaceutical applications. The specific stereochemistry at the R-configuration indicates that the molecule has a specific three-dimensional arrangement, which can significantly influence its biological activity.
98413-81-1
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Basic information
- Product Name: 2-((R)-5-Carboxymethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester; hydrochloride
- Synonyms:
- CAS NO:98413-81-1
- Molecular Formula:
- Molecular Weight: 499.071
- 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)-5-Carboxymethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester; hydrochloride(CAS DataBase Reference)
- NIST Chemistry Reference: 2-((R)-5-Carboxymethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester; hydrochloride(98413-81-1)
- EPA Substance Registry System: 2-((R)-5-Carboxymethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester; hydrochloride(98413-81-1)
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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: 98413-81-1(Hazardous Substances Data)
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98413-81-1 Usage
Check Digit Verification of cas no
The CAS Registry Mumber 98413-81-1 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, 8 and 1 respectively.Calculate Digit Verification of CAS Registry Number 98413-81:
(7*9)+(6*8)+(5*4)+(4*1)+(3*3)+(2*8)+(1*1)=161
161 % 10 = 1
So 98413-81-1 is a valid CAS Registry Number.
98413-81-1Upstream product
- 95779-65-0 tert-butyl (R)-4-oxo-3-phthalimido-2,3,4,5-tetrahydro-1,5-benzothiazepine-5-acetate
- 95779-67-2 tert-butyl (R)-3-amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-5-acetate
- 98413-34-4 ethyl 4-(1-methylcyclohexyl)-2-oxobutyrate
- 103584-54-9 ethyl 3-(1-methylcyclohexyl)propionate
- 95779-63-8 (R)-3-(2-nitrophenyl)thio-2-phthalimidopropionic acid
- 100236-26-8 (2R)-3-(2-Aminophenylthio)-2-phthalimidopropionsaeure
- 95779-64-9 (R)-3-phthalimido-2,3-dihydro-1,5(5H)-benzothiazepin-4-one
- 88-74-4 2-nitro-aniline
- 931-96-4 1-methyl-3-cyclohexene-1-carboxaldehyde
- 60115-45-9 S-(o-nitrophenyl)-L-cysteine
- 98413-58-2 2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester
98413-81-1Downstream Products
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2-((R)-5-Carboxymethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester; hydrochloride
