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Z80

Summary
Name:3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Synonyms:Chlorpromazine
Formula:C17 H19 Cl N2 S
Formal charge:0
Formula weight:318.864 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.13-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13
SMILESCACTVS3.352CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13
SMILES_CANONICALOpenEye OEToolkits1.7.0CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
SMILESOpenEye OEToolkits1.7.0CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
InChIInChI1.03InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyInChI1.03ZPEIMTDSQAKGNT-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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