Ramipril hydroxydiketopiperazine
Basic information
- CAS
1309040-96-7- Standard SMILES
CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@]2(O)C[C@@H]3CCC[C@@H]3N2C(=O)[C@@H]1C- InChIKey
VLBAUIKFYUTIDF-PXMVHEFSSA-N- Molecular formula
- C23H30N2O5
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.21547206
Names & identifiers
- Preferred name
- Ramipril hydroxydiketopiperazine
- IUPAC
- ethyl (2S)-2-[(2S,6S,8S,11S)-8-hydroxy-11-methyl-9,12-dioxo-1,10-diazatricyclo[6.4.0.02,6]dodecan-10-yl]-4-phenylbutanoate
- English name
- (αS,3S,5aS,8aS,9aS)-Decahydro-9a-hydroxy-3-Methyl-1,4-dioxo-α-(2-phenylethyl)-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-2-acetic Acid Ethyl Ester
- Molecular formula
- C23H30N2O5
- Molecular weight
- 414.5
Names & synonyms
1309040-96-7Ramipril EP Impurity LRamipril hydroxydiketopiperazineG1380TES6Xethyl (2S)-2-[(2S,6S,8S,11S)-8-hydroxy-11-methyl-9,12-dioxo-1,10-diazatricyclo[6.4.0.02,6]dodecan-10-yl]-4-phenylbutanoateEthyl (2S)-2-((3S,5aS,8aS,9aS)-9a-hydroxy-3-methyl-1,4-dioxodecahydro-2H-cyclopenta(4,5)pyrrolo(1,2-a)pyrazin-2-yl)-4-phenylbutanoate9-Hydroxy Ramipril Diketopiperazine9a-Hydroxy ramipril diketopiperazineEthyl (2S)-2-[(3S,5aS,8aS,9aS)-9a-hydroxy-3-methyl-1,4-dioxodecahydro-2H-cyclopenta[4,5]pyrrolo [1,2-a]pyrazin-2-yl]-4-phenylbutanoateRamipril impurity L [EP]UNII-G1380TES6XEthyl (2S)-2-((3S,5aS,8aS)-9-Hydroxy-3-methyl-1,4-dioxodecahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)-4-phenylbutanoate
Show more names
RaMipril IMpurity-L2-(5-Methyl-4,7-dioxo-decahydro-3b,6-diaza-cyclopenta[a]inden-6-yl)-4-phenyl-butyric acid ethyl ester(αS,3S,5aS,8aS,9aS)-Decahydro-9a-hydroxy-3-Methyl-1,4-dioxo-α-(2-phenylethyl)-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-2-acetic Acid Ethyl Ester2H-Cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-2-acetic acid, decahydro-9a-hydroxy-3-methyl-1,4-dioxo-α-(2-phenylethyl)-, ethyl ester, (αS,3S,5aS,8aS,9aS)-
orb3214918Ramipril EP Impurity L(mixture)2H-Cyclopenta(4,5)pyrrolo(1,2-a)pyrazine-2-acetic acid, decahydro-9a-hydroxy-3-methyl-1,4-dioxo-alpha-(2-phenylethyl)-, ethyl ester, (alphaS,3S,5aS,8aS,9aS)-RAMIPRIL IMPURITY L [EP IMPURITY]Q27278517(S)-Ethyl 2-((3S,5aS,8aS,9aS)-9a-hydroxy-3-methyl-1,4-dioxooctahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(5aH)-yl)-4-phenylbutanoate(S)-Ethyl2-((3S,5aS,8aS,9aS)-9a-hydroxy-3-methyl-1,4-dioxooctahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(5aH)-yl)-4-phenylbutanoate2H-CYCLOPENTA(4,5)PYRROLO(1,2-A)PYRAZINE-2-ACETIC ACID, DECAHYDRO-9A-HYDROXY-3-METHYL-1,4-DIOXO-.ALPHA.-(2-PHENYLETHYL)-, ETHYL ESTER, (.ALPHA.S,3S,5AS,8AS,9AS)-
Database identifiers
- CAS
1309040-96-7- PubChem CID
- 72942014
- UNII
- G1380TES6X
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 691
Physicochemical properties
- Boiling point
- 631.208 · 631.208±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.29 · 1.290±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 11.595 · 11.595±0.40(predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 1380 TES6X · G1380TES6X
Chemistry & industry
Applications
Uses9-Hydroxy Ramipril Diketopiperazine is an impurity of the antihypertensive drug Ramipril (R111000). Ramipril impurity L.
Related reactions
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Compound notes
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