Chemical Components in the PDB

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BUW : Summary

Code

BUW

One-letter code

X

Molecule name

R-ethopropazine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{R})-~{N},~{N}-diethyl-1-phenothiazin-10-yl-propan-2-amine

Formula

C19 H24 N2 S

Formal charge

0

Molecular weight

312.472 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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

IUPAC InChI key

CDOZDBSBBXSXLB-OAHLLOKOSA-N
BUW

wwPDB Information

Atom count

46 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-10-14

Last modified at

2017-12-08

Status

Released

Obsoleted

Not Assigned