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· · COA & SDS disponible pour chaque produit · Expédition le jour même sur les articles en stock SDZ 21009 , CAS No.39731-05-0
Synonyms
SR-01000597604 | ISOPROPYL (+/-)-4-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)INDOLE-2-CARBOXYLATE | 4-[3-[(1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPOXY]-1H-INDOLE-2-CARBOXYLIC ACID, 1-METHYLETHYL ESTER | Isopropyl (+-)-4-(3-(tert-butylamino)-2-hydroxypropoxy)ind
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonymes
SR-01000597604 | ISOPROPYL (+/-)-4-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)INDOLE-2-CARBOXYLATE | 4-[3-[(1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPOXY]-1H-INDOLE-2-CARBOXYLIC ACID, 1-METHYLETHYL ESTER | Isopropyl (+-)-4-(3-(tert-butylamino)-2-hydroxypropoxy)ind
Mécanismes biochimiques et physiologiques
β-adrenoceptor and 5-HT1A/1Breceptor antagonist. pKB/pA2values are 8.3 and 8.0 for 5-HT1Aand 5-HT1Breceptors respectively. Centrally active following systemic administrationin vivo.
Conditions de stockage de stockage
Room temperature
Noms et identifiants Sourires canoniques
CC(C)OC(=O)C1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O
IUPAC Name
propan-2-yl 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carboxylate
InChIKey
SJYFDORQYYEJLB-UHFFFAOYSA-N
INCHI
1S/C19H28N2O4/c1-12(2)25-18(23)16-9-14-15(21-16)7-6-8-17(14)24-11-13(22)10-20-19(3,4)5/h6-9,12-13,20-22H,10-11H2,1-5H3
Isomères SMILES
CC(C)OC(=O)C1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Classe Indoles and derivatives Subclass Indolecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Indolecarboxylic acids and derivatives Alternative Parents Indoles Pyrrole carboxylic acids and derivatives Alkyl aryl ethers Substituted pyrroles Benzenoids Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Indolecarboxylic acid derivative - Indole - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Azacycle - Monocarboxylic acid or derivatives - Secondary amine - Organic oxygen compound - Alcohol - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Structure 3D Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Solubilité Solvent:ethanol, Max Conc. mg/mL: 34.84, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 34.84, Max Conc. mM: 100 Poids moléculaire 348.400 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 9 Exact Mass 348.205 Da Monoisotopic Mass 348.205 Da Topological Polar Surface Area 83.600 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 436.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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