| CAS Number | 795313-24-5 |
| Catalog Number | AG00G4R6(AGN-PC-0WBNGW) |
| Chemical Name | 8-(2,3-dichlorophenyl)-8-aza-5-azoniaspiro[4.5]decane Bromide |
| IUPAC Name | 8-(2,3-dichlorophenyl)-8-aza-5-azoniaspiro[4.5]decane;bromide |
| InChI | InChI=1S/C14H19Cl2N2.BrH/c15-12-4-3-5-13(14(12)16)17-6-10-18(11-7-17)8-1-2-9-18;/h3-5H,1-2,6-11H2;1H/q+1;/p-1 |
| InChI Key | SEDIOOIGAOGDMF-UHFFFAOYSA-M |
| MDL Number | MFCD31536302 |
| Molecular Formula | C14H19BrCl2N2 |
| Molecular Weight | 366.1241 |
| SMILES | [Br-].Clc1cccc(N2CC[N+]3(CCCC3)CC2)c1Cl |
| Synonyms | 795313-24-5,
8-(2,3-dichlorophenyl)-8-aza-5-azoniaspiro[4.5]decane Bromide,
8-(2,3-Dichlorophenyl)-5,8-diazaspiro[4.5]decan-5-ium bromide,
Aripiprazole Impurity 12,
SCHEMBL4611746,
AKOS030631867,
SEDIOOIGAOGDMF-UHFFFAOYSA-M,
CID11199382,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.124g/mol |
| Monoisotopic Mass | 364.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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