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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino Clocinnamox , CAS No.C668976
Synonyms
clocinnamox|C-CAM|14beta-4''-Chlorocinnamoylaminodihydronormorphinone|1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-17-yl]-3-(4-chlorophenyl)-(E)-2-propenamide(Clocinnamox (C-CAM))|14Beta-4'-Chlorocinnamoylaminodihydronormorphinone|(2E)-3-(4-chlorophenyl)-N-[(1R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-17-yl]prop-2-enamide
Specifiche Sinonimi
clocinnamox | C-CAM | 14beta-4''-Chlorocinnamoylaminodihydronormorphinone | 1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-17-yl]-3-(4-chlorophenyl)-(E)-2-propenamide(Clocinnamox (C-CAM)) | 14Beta-4'-Chlorocinnamoylaminodihydronormorphinone | (2E)-3-(4-chlorophenyl) Mostra altro
Condizioni di conservazione di stoccaggio
Room temperature
Proprietà del prodotto Nomi e identificatori Sorrisi canonici
C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)NC(=O)C=CC7=CC=C(C=C7)Cl
IUPAC Name
(E)-N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-chlorophenyl)prop-2-enamide
InChIKey
RAURUSFBVQLAPW-DNIKMYEQSA-N
INCHI
1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
Isomeri SMILES
C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)NC(=O)/C=C/C7=CC=C(C=C7)Cl
Dati avanzati Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Classe Phenanthrenes and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Phenanthrenes and derivatives Alternative Parents Cinnamic acid amides Isoquinolones and derivatives Tetralins Coumarans Styrenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Chlorobenzenes Piperidines Aryl chlorides Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Ketones Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenanthrene - Cinnamic acid or derivatives - Cinnamic acid amide - Isoquinolone - Tetralin - Coumaran - Styrene - Alkyl aryl ether - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Aralkylamine - Monocyclic benzene moiety - Piperidine - Aryl halide - Aryl chloride - Secondary carboxylic acid amide - Tertiary amine - Ketone - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound Descrizione This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. 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.
Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 505.000 g/mol XLogP3 4.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 5 Exact Mass 504.182 Da Monoisotopic Mass 504.182 Da Topological Polar Surface Area 78.900 Ų Heavy Atom Count 36 Formal Charge 0 Complexity 946.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 4 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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