Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Pharmaceuticals and Biochemicals  /  Animal Pharmaceuticals  /  Pharmaceutical  /  Organic Intermediate
Fluphenazine N4-Oxide Sulphoxide structure
Fluphenazine N4-Oxide Sulphoxide structure

Fluphenazine N4-Oxide Sulphoxide

Iupac Name:(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
CAS No.:108050-54-0
Molecular Weight:869.147
1. Names and Identifiers
1.1 Name
Fluphenazine N4-Oxide Sulphoxide
1.2 Synonyms

1-Piperazineethanol, 4-[3-[5-oxido-2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-, 1-oxide Fluphenazine Decanoate Impurity 14

1.3 CAS No.
108050-54-0
1.4 CID
45357310
1.5 Molecular Formula
C44H25Cl2N4O12S4Sn-3 (isomer)
1.6 Inchi
InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45?,46-/m1/s1
1.7 InChkey
JTSDBFGMPLKDCD-FXBZMSTBSA-N
1.8 Canonical Smiles
CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC
1.9 Isomers Smiles
CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC
2. Properties
3.1 Boiling point
493.2±55.0 °C(Predicted)
3.1 Refractive index
1.545
3.1 Vapour pressure
0mmHg at 25°C
3.1 Precise Quality
868.56600
3.1 PSA
186.15000
3.1 logP
3.27930
3.1 pKa
13.61±0.10(Predicted)
3. Safety and Handling
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:869.147g/mol
  • Molecular Formula:C44H25Cl2N4O12S4Sn-3
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.6
  • Exact Mass:868.56604061
  • Monoisotopic Mass:868.56604061
  • Complexity:1420
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:15
  • Topological Polar Surface Area:186
  • Heavy Atom Count:61
  • Defined Atom Stereocenter Count:18
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:2
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Recommended Suppliers
Global287SuppliersView all >>
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Manufacturer supply Tilmicosin CAS 108050-54-0 of USP standard
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/kilogram
  • Time: 2022/05/21
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Tilmicosin suppliers in ChinaCAS NO.: 108050-54-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Tilmicosin
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/05/20
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Tilmicosin Cas 108050-54-0 from China
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:Chemical products, pharmaceutical intermediates, health food, fitness and muscle products research and development
  • Tel:86-000000-19932103556
  • Email:larissa@ylbosstech.com
High Quality Tilmicosin 108050-54-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/03/09
Inquire