Basic information
- CAS
173400-13-0- Standard SMILES
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(=O)O)C(C)C)C(C)C)ccc1OC- InChIKey
LRZFGPAQWQGXCX-QORCZRPOSA-N- Molecular formula
- C30H52N2O7
- Average molar mass
- 552.7 g/mol
- Monoisotopic mass
- 552.377452
Names & identifiers
- Preferred name
- Aliskiren Carboxylic Acid
- IUPAC
- 3-[[(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanoyl]amino]-2,2-dimethylpropanoic acid
- English name
- Aliskiren Carboxylic Acid
- Molecular formula
- C30H52N2O7
- Molecular weight
- 552.74
Names & synonyms
Aliskiren Acid ImpurityAliskiren Carboxylic Acid173400-13-03-[[(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanoyl]amino]-2,2-dimethylpropanoic acidDDT5N8PP96SCHEMBL7311199CHEMBL1195139BDBM183473-[(2S,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamido]-2,2-dimethylpropanoic acid3-[[(2S,4S,5S,7S)-5-Amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-(1-methylethyl)-1-oxononyl]amino]-2,2-dimethyl-propanoic Acid3-[[(2S,4S,5S,7S)-5-Amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-(1-methylethyl)-1-oxononyl]amino]-2,2-dimethylpropanoic acidPropanoic acid, 3-[[(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-(1-methylethyl)-1-oxononyl]amino]-2,2-dimethyl
Show more names
AliskirecidImpuritySodiumSaltAliskiren Carboxylic Acid ImpurityAliskiren Acid Impurity Sodium Salt
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 715
Physicochemical properties
- Boiling point
- 728.9 · 728.9±60.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- pka
- 4.47 · 4.47±0.10(Predicted)
Chemistry & industry
Applications
UsesAliskiren Carboxylic Acid is an impurity of Aliskiren (A536000), an orally active, synthetic nonpeptide renin inhibitor. Antihypertensive.
Suppliers9 total
济南百隆化学有限公司[email protected] · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…