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Salts and solvent of crystallization

An up-to-date salt table is available in your CDD Vault, by clicking on the batch salt field of any registered compound. You can also download the up-to-date table at the same location. If you do not see a necessary salt or solvent, please contact support to request it.

 

For complete molecule registration guidelines, please look here and here.

 

Salt table (log-in required)

Solvents of crystallization

 

 

Solvents of crystallization

Updated on 08/20/2014

An up-to-date list of solvents is available in your CDD Vault, when you edit the solvent field of any batch. If you do not see a necessary solvent, please contact support to request it.

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NameCXSMILES
no solvate  
H2O O
Acetone CC(C)=O
n-Butanol CCCCO
s-Butanol CCC(C)O
t-Butanol CC(C)(C)O
Diethyl ether CCOCC
Dimethylsulfoxide CS(C)=O
1,4-Dioxane C1COCCO1
Ethanol CCO
Ethylacetate CCCC(O)=O
Hexane CCCCCC
Isobutanol CC(C)CO
Isopropanol CC(C)O
Methanol CO
Methylene Chloride ClCCl
Pentane CCCCC
n-Propanol CCCO
Tetrahydrofuran C1CCOC1

 

Salt table

An up-to-date salt table is available in your CDD Vault, by clicking on the batch salt field of any registered compound. Or click here and log-in to your CDD account, to go directly to the salt table. You can also download the up-to-date table from the CDD salt table.

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Every salt in the table contains the following fields:

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Name The standard salt name that is displayed in the batch information.
Code Salt code prefix that is used in bath naming in some vaults.
Salt vendor strings

Synonyms that will be accepted during compound registration,

when the salt and stoichiometry are imported as a separate "salt" batch field.

Structure

SMILES structure of the salt that will be used for automated salt stripping from

structure.  Please note that most salts will be stored in neutralized form.

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