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Z80 : Summary
Code
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Z80
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One-letter code
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X
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Molecule name
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3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
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Synonyms
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Chlorpromazine
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Systematic names
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Formula
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C17 H19 Cl N2 S
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Formal charge
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0
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Molecular weight
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318.864 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.352 |
CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl |
Canonical SMILES
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CACTVS |
3.352 |
CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl |
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IUPAC InChI | InChI=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 |
IUPAC InChI key | ZPEIMTDSQAKGNT-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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40 (21 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2010-02-24
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Last modified at
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2022-10-05
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Status
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Released
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Obsoleted
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Not Assigned
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