Basic information
- CAS
1357570-21-8- Standard SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O[C@@H]2OC(C(=O)O)[C@@H](O)C(O)[C@@H]2O)C[C@@H]2CCC[C@@H]21- InChIKey
ZJZVWDOXIZGYPD-XHPMATLTSA-N- Molecular formula
- C29H40N2O11
- Average molar mass
- 592.6 g/mol
- Monoisotopic mass
- 592.2632101
Names & identifiers
- Preferred name
- Ramipril Acyl-beta-D-glucuronide
- IUPAC
- (3S,5S,6S)-6-[(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- English name
- Ramipril Acyl--D-glucuronide
- Molecular formula
- C29H40N2O11
- Molecular weight
- 592.64
Names & synonyms
1357570-21-8Ramipril Acyl-|A-D-glucuronide, ~ 80% By HPLCRamipril Acyl-beta-D-glucuronide(3S,5S,6S)-6-[(2S,3As,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidDTXSID70858358MR09515(3S,5S,6S)-6-({(2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carbonyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid1-O-[(2S,3aS,6aS)-1-{N-[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl}octahydrocyclopenta[b]pyrrole-2-carbonyl]-beta-D-threo-hexopyranuronic acidRamipril Acyl-β-D-glucuronide(R,S)-Ramipril acyl-β-D-glucuronideRamipril-acyl-beta-D-glucuronide min. 95%Ramipril Acyl--D-glucuronide, ~ 80% By HPLC
Show more names
Ramipril Acyl-β-D-glucuronide, ~ 80% By HPLC1-[(2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]aMino]-1-oxopropyl]octahydrocyclopenta[b]pyrrole-2-carboxylate] β-D-Glucopyranuronic Acid
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 973
Physicochemical properties
- Melting point
- 128 · 128-130°C
- Boiling point
- 800.6 · 800.600±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.403 · 1.403±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Hygroscopic, Store under Inert atmosphere -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- pka
- 2.673 · 2.673±0.70(predicted)
- form
- Solid
- color
- Pale Yellow to Light Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesA metabolite of Ramipril. This compound is not stable in an aqueous solution
UsesA metabolite of Ramipril (R111000). This compound is not stable in an aqueous solution.
UsesA metabolite of Ramipril (R111000). This compound is not stable in an aqueous solution.
Suppliers17 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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