Chlorpromazine-D3
PubChem CID
90469869
Structure
Molecular Formula
Synonyms
- CHLORPROMAZINE-D3
- 136765-28-1
- 3-(2-chlorophenothiazin-10-yl)-N-methyl-N-(trideuteriomethyl)propan-1-amine
- ZPEIMTDSQAKGNT-FIBGUPNXSA-N
- Chlorpromazine-D3 0.1 mg/ml in Methanol
Molecular Weight
321.9 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2015-02-16
- Modify:2024-12-28
Chemical Structure Depiction
3-(2-chlorophenothiazin-10-yl)-N-methyl-N-(trideuteriomethyl)propan-1-amine
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
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/i1D3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
ZPEIMTDSQAKGNT-FIBGUPNXSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
[2H]C([2H])([2H])N(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
Computed by OEChem 2.3.0 (PubChem release 2024.11.20)
C17H19ClN2S
Computed by PubChem 2.2 (PubChem release 2024.11.20)
136765-28-1
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
321.9 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
5.2
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
321.1145777 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
321.1145777 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
31.8Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
339
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
3
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
New Zealand EPA Inventory of Chemical Status
10H-Phenothiazine-10-propanamine, 2-chloro-N-methyl-N-(methyl-d3)-: Does not have an individual approval but may be used under an appropriate group standard
- Japan Chemical Substance Dictionary (Nikkaji)
- New Zealand Environmental Protection Authority (EPA)LICENSEThis work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.https://www.epa.govt.nz/about-this-site/general-copyright-statement/10H-Phenothiazine-10-propanamine, 2-chloro-N-methyl-N-(methyl-d3)-https://www.epa.govt.nz/industry-areas/hazardous-substances/guidance-for-importers-and-manufacturers/hazardous-substances-databases/
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- NCBI
CONTENTS