Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Buy offers
  • Encyclopedia
  • Suppliers
Home> Encyclopedia >   /  Organic Intermediates  /  Pharmaceuticals and Biochemicals  /  Pharmaceuticals and Biochemicals  /  Custom Manufacturing  /  Pharmaceutical Intermediates
161973-10-0 structure

esomeprazole magnesium

Iupac Name:magnesium;5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
CAS No.:161973-10-0
EINECS(EC#): 2017-001-1
Molecular Weight:713.12100
Molecular Formula:C34H36MgN6O6S2 (isomer)
1. Names and Identifiers
1.1 Synonyms

5-Methoxy-2-((S)-((4-Methoxy-3,5-diMethyl-2-pyridyl)Methyl)sulfinyl-1H-benziMidazole MagnesiuM salt Bis(5-methoxy-2-{(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}benzimidazol-1-ide) magnesium Chebi:50309 EsMeprazole Magne-siuM Trihydrate Esomeprazole magnesium EsoMeprazole MagnesiuM(NexiuM) Esomeprazole Magnesium(Random Configuration) Magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide MagnesiuM,bis[6-Methoxy-2-[(S)-[(4-Methoxy-3,5-diMethyl-2-pyridinyl)Methyl]sulfinyl-kO]-1H-benziMidazolato-kN3]-, (T-4)-

1.2 Inchi
InChI=1S/2C17H18N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h2*5-8H,9H2,1-4H3;/q2*-1;+2
1.3 InChkey
KWORUUGOSLYAGD-UHFFFAOYSA-N
1.4 Canonical Smiles
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2]
2. 3D Conformer
3. Properties
3.1 Boiling Point
600ºC at 760 mmHg
3.2 Vapour
2.35E-14mmHg at 25°C
3.3 Flash Point
316.7ºC
3.4 Alpha
D20 -128.2° (c = 1 in methanol)
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:713.12100g/mol
  • Molecular Formula:C34H36MgN6O6S2
  • Compound Is Canonicalized:True
  • Exact Mass:712.199
  • Monoisotopic Mass:712.199
  • Complexity:453
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:14
  • Topological Polar Surface Area:163A^2
  • Heavy Atom Count:49
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADcfB/uABgACAAAAAAAAAAAAAAAWLAAAA8eIEAAAAAAFgB/gAAHgQAAAAADAzF3ga/1rYIFAqg AzRnZEDK2C1xMrAJ2CA+fJiMbuLkuZuUMChuwBvI6CewUAMOAEAAAgAAACAAgAAEAAAAQAAAAAAA AA==
8. Recommended Suppliers
Global(166)Suppliers
Purity:99%min Packing:1kg/foil bag;25kg/drum FOB Price:80 USD/Kilogram Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Purity:99% Packing:25kg/bag FOB Price:1 USD/Kilogram Inquire
  • Products:Testosterone,Testosterone Enanthate,Testosterone Acetate
  • Tel:+86-0311-85236312
  • Email:admin@hbqige.com
  • Products:API & API intermediates
  • Tel:86-21-33758180
  • Email:sales@dochemical.com
Purity:99%min Packing:25kg/drum FOB Price:1 USD/Kilogram Inquire
  • Products:pharmaceutical intermediates, biochemistry and customized chemicals, special chemicals, organic and inorganic chemicals, medical devices, electronic chemicals and biological sciences
  • Tel:+86-0592-5567629
  • Email:sales@chemzhongyuan.com
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829152
  • Email:market@royalpharms.com
Purity:99% Packing: Inquire
  • Products:Our company is an internationally oriented research based pharmaceutical company with headquarters located in Hangzhou,China.
  • Tel:86-571-87670983
  • Email:jenny@utanpharma.com
Purity:99% Packing:according to the clients requirement Inquire
  • Products:Pharmaceutical intermediates Pesticide intermediates Food Additives Custom synthesis
  • Tel:+86-311-85355123
  • Email:miya@zk-chem.com
  • Products:Pharmaceutical Intermediate; Pharmaceutical Raw Materials; Raw Steroid Powders; Raw Hormone Powders; etc
  • Tel:86-188-74586545
  • Products:Chlorodimethylsilane;1,1,3,3-tetramethyldisiloxane
  • Tel:0086-531-58773055
Purity:99% Packing:200kg Galvanized iron drum or according to the customer request FOB Price:15 USD/Kilogram Inquire
  • Products:chemical material
  • Tel:0086-319-3157755