Brl 26830A
Basic information
- CAS
87857-42-9- Standard SMILES
CC(=O)/C=C/C(=O)O.COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2ccccc2)cc1- InChIKey
OIZISCUUSLPUEN-LMORPYAASA-N- Molecular formula
- C24H29NO6
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.19948764
Overview
structure given in first source
Names & identifiers
- Preferred name
- Brl 26830A
- IUPAC
- methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate;(E)-4-oxopent-2-enoic acid
Names & synonyms
BRL 26830ABrl 2683087857-42-9Brl-26830ABenzoic acid, 4-(2-((2-hydroxy-2-phenylethyl)amino)propyl)-, methyl ester, (R*,R*)-(+-)-, (E)-2-butenedioate (2:1) (salt)3HY5ET7DJXBRL-26830 hemifumarate saltRefChem:121453Methyl 4-(2-((2-hydroxy-2-phenethyl)amino)propyl)benzoate-2-butanedioateSCHEMBL29389524methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate;(E)-4-oxopent-2-enoic acid
Database identifiers
- CAS
87857-42-9- PubChem CID
- 6438331
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 481
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that selectively bind to and activate beta-adrenergic receptors.
Substances which lower blood glucose levels.
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Related reactions
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Compound notes
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