Cgs 27830
Basic information
- CAS
155485-56-6- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(=O)C2=C(C)NC(C)=C(C(=O)OC)[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc([N+](=O)[O-])c1- InChIKey
PZNZOWSLQRURNA-HNRBIFIRSA-N- Molecular formula
- C32H30N4O11
- Average molar mass
- 646.6 g/mol
- Monoisotopic mass
- 646.19110779
Overview
RN given refers to the bimolecular monoanhydride dimethyl ester (R*,S*) (referred to as CGS 27830 in ChemLine)
Names & identifiers
- Preferred name
- Cgs 27830
- IUPAC
- 5-O-[(4S)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- CGS 27830
- Molecular formula
- C32H30N4O11
- Molecular weight
- 646.6008
Names & synonyms
Cgs-27830Cgs 27830155485-56-6RefChem:124847cgs278305-O-[(4R)-5-Methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateorb1739026SCHEMBL9089580SCHEMBL29551493meso-1,4-Dihydro-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridine carboxylic acid anhydride
Database identifiers
- CAS
155485-56-6- PubChem CID
- 190809
- ChEMBL
CHEMBL67074- Nikkaji
- J732.557F
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,390
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds and drugs that bind to and inhibit or block the activation of ENDOTHELIN RECECPTORS.
Applications
DescriptionCgs 27830 is an Endothelin Receptor Antagonist.
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Related reactions
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Compound notes
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