BUW

R-ethopropazine

Created:	2017-10-14
Last modified:	2017-12-13

Find Related PDB Entry
1 entries where BUW is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	48
Aromatic Bond Count	12

2D diagram of BUW

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	R-ethopropazine
Systematic Name (OpenEye OEToolkits)	(2~{R})-~{N},~{N}-diethyl-1-phenothiazin-10-yl-propan-2-amine
Formula	C₁₉ H₂₄ N₂ S
Molecular Weight	312.472
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCN(CC)[CH](C)CN1c2ccccc2Sc3ccccc13
SMILES	OpenEye OEToolkits	2.0.6	CCN(CC)C(C)CN1c2ccccc2Sc3c1cccc3
Canonical SMILES	CACTVS	3.385	CCN(CC)[C@H](C)CN1c2ccccc2Sc3ccccc13
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCN(CC)[C@H](C)CN1c2ccccc2Sc3c1cccc3
InChI	InChI	1.03	InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/t15-/m1/s1
InChIKey	InChI	1.03	CDOZDBSBBXSXLB-OAHLLOKOSA-N

Related Resource References

Resource Name	Reference
PubChem	688098
ChEBI	CHEBI:60348
CCDC/CSD	VICYEM
COD	2212990

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.