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Arterolane - ≥99%, high purity , CAS No.664338-39-0
Basic Description
Synonyms
SCHEMBL11379522 | Arterolane [INN] | HY-10852 | SCHEMBL4547841 | MS-26573 | DTXSID50985095 | 3N1TN351VB | arterolano | arterolanum | MLS001066403 | NCGC00274173-01 | AT25294 | HMS3650D13 | N-(2-amino-2-methylpropyl)-2-[(1s,4s)-dispiro[cyclohexane-1,3'-[1,
Specifications & Purity
≥99%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Trioxolanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Trioxolanes
Alternative Parents
Secondary carboxylic acid amides Dialkyl peroxides Amino acids and derivatives Oxacyclic compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
1,2,4-trioxolane - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Dialkyl peroxide - Carboxylic acid derivative - Oxacycle - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trioxolanes. These are compounds containing a five-member aliphatic saturated heterocycle made up of three oxygen atoms and two carbon atoms.
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.
Names and Identifiers
INCHI
InChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)
InChIKey
VXYZBLXGCYNIHP-UHFFFAOYSA-N
Smiles
CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N
Isomeric SMILES
CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N
Molecular Weight
392.53
Reaxy-Rn
21421500
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21421500&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
392.500 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
392.268 Da
Monoisotopic Mass
392.268 Da
Topological Polar Surface Area
82.800 Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
598.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
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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