CAS 99742-35-5 Hexahydroramipril (HCID 15068009)

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Basic information

CAS: 99742-35-5
Standard SMILES: CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21
InChIKey: REDFEBRIUVBHFO-JBDAPHQKSA-N
Molecular formula: C23H38N2O5
Average molar mass: 422.6 g/mol

Names & identifiers

Preferred name: Hexahydroramipril
IUPAC: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
English name: [2S-[1[R*(R*)],2α,3aβ,6aβ]]-1-[2-[[3-Cyclohexyl-1-(ethoxycarbonyl)propyl]aMino]-1-oxoprop
Molecular formula: C23H38N2O5
Molecular weight: 422.56

Names & synonyms

Hexahydroramipril99742-35-5Ramipril EP Impurity C(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid8G04V75L6Q(2S,3aS,6aS)-1-((2S)-2-(((1S)-3-Cyclohexyl-1-(ethoxycarbonyl)-propyl)amino)propanoyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acidCyclopenta(b)pyrrole-2-carboxylic acid, 1-((2S)-2-(((1S)-3-cyclohexyl-1-(ethoxycarbonyl)propyl)amino)-1-oxopropyl)octahydro-, (2S,3aS,6aS)-(2S,3AS,6aS)-1-((S)-2-(((S)-4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino)propanoyl)octahydrocyclopenta[b]pyrrole-2-carboxylic acidUNII-8G04V75L6QRamipril specified impurity C [EP]Ramipril impurity C CRSorb3217151

Show more names

Ramipril EP Imp CRamipril Impurity 26RaMipril EP IMp C(USP RC C)Cyclohexyl RaMipril AnalogueRamipril EP Impurity C(USP RC C)Ramipril Impurity Ⅲ:Ramipril EP Impurity C

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 95.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 30
Formal charge: 0
Complexity: 619

Physicochemical properties

Boiling point: 591.1 · 591.1±45.0 °C(Predicted)
Density: 1.146 · 1.146±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 3.15 · 3.15±0.20(Predicted)
Major Application: pharmaceutical (small molecule)
InChIKey: REDFEBRIUVBHFO-JBDAPHQKSA-N
SMILES: N1(C(=O)[C@@H](N[C@H](C(OCC)=O)CCC2CCCCC2)C)[C@H](C(O)=O)C[C@]2([H])CCC[C@]12[H]
FDA UNII: 8 G04V75L6Q · 8G04V75L6Q
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24

Chemistry & industry

Applications

UsesCyclohexyl Ramipril analogue (Ramipril EP Impurity C) is an impurity of Ramipril (R111000). Ramipril Impurity C.

UsesCyclohexyl Ramipril analogue is an impurity of Ramipril (R111000). Ramipril Impurity C.

Suppliers36 total

上海策嵘生物科技有限公司[email protected]

济南百隆化学有限公司[email protected] · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

孟成科技（上海）有限公司400-820-6829 · [email protected]

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