RKE

(R)-ketamine

Created:	2011-05-02
Last modified:	2021-03-01

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1 entries where RKE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	6

2D diagram of RKE

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Chemical Component Summary
Name	(R)-ketamine
Synonyms	(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone
Systematic Name (OpenEye OEToolkits)	(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
Formula	C₁₃ H₁₆ Cl N O
Molecular Weight	237.725
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1c(cccc1)C2(NC)C(=O)CCCC2
SMILES	CACTVS	3.370	CN[C]1(CCCCC1=O)c2ccccc2Cl
SMILES	OpenEye OEToolkits	1.7.2	CNC1(CCCCC1=O)c2ccccc2Cl
Canonical SMILES	CACTVS	3.370	CN[C@]1(CCCCC1=O)c2ccccc2Cl
Canonical SMILES	OpenEye OEToolkits	1.7.2	CN[C@]1(CCCCC1=O)c2ccccc2Cl
InChI	InChI	1.03	InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1
InChIKey	InChI	1.03	YQEZLKZALYSWHR-CYBMUJFWSA-N

Related Resource References

Resource Name	Reference
PubChem	644025
ChEMBL	CHEMBL467505
ChEBI	CHEBI:580604
CCDC/CSD	XURCES, HOFSIH, PEFBOR, XURCAO

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