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Amorolfinehydrochloride - ≥95%, high purity , CAS No.106614-68-0
Basic Description
Synonyms
amorolfine hydrochloride | Amorolfine HCl | 78613-38-4 | amorolfin | Loceryl | Amorolfine (hydrochloride) | Amorolfine hydrochloride [JAN] | 106614-68-0 | Ro 14-4767/002 | 741YH7379H | 78613-38-4 (HCl) | (2R,6S)-2,6-dimethyl-4-(2-methyl-3-(4-(tert-pentyl)phenyl)propyl)morpholi
Specifications & Purity
≥95%
Storage Temp
Room temperature,Desiccated
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Aralkylamines Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpropane - Aralkylamine - Morpholine - Oxazinane - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors
hydrochloride - morpholine antifungal drug
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;hydrochloride
INCHI
InChI=1S/C21H35NO.ClH/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22;/h8-11,16-18H,7,12-15H2,1-6H3;1H/t16?,17-,18+;
InChIKey
XZKWIPVTHGWDCF-KUZYQSSXSA-N
Smiles
CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2CC(OC(C2)C)C.Cl
Isomeric SMILES
CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2C[C@H](O[C@H](C2)C)C.Cl
Molecular Weight
353.97
Reaxy-Rn
10605860
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10605860&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
354.000 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
353.249 Da
Monoisotopic Mass
353.249 Da
Topological Polar Surface Area
12.500 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
336.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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
2
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