Esomeprazole magnesium trihydrate - pharmaceutical grade , CAS No.217087-09-7

CAS: 217087-09-7 Cat. No.: E140070 분자식: C₃₄H₃₆MgN₆O₆S₂·3H₂O 분자량: 767.17 EC 번호: 669-839-3 PubChem CID: 130565

GRADE & PURITY Pharmaceutical grade

Synonyms

AC-402 | Esomeprazolemagnesiumtrihydrate | AKOS015967196 | Esomeprazole (Magnesium trihydrate) | KS-1054 | SY108184 | magnesium;5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;trihydrate | VEVZQDGATGBLIC-UHFFFAOYSA-N | E

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

Esomeprazole Magnesium is theS-isomer of omeprazole and is widely used for the treatment of acid related diseases. It is the first single optical isomer proton pump inhibitor and is found to be better over omeprazole in terms of pharmacokinetic characteristics and acid suppression

Specifications

동의어

AC-402 | Esomeprazolemagnesiumtrihydrate | AKOS015967196 | Esomeprazole (Magnesium trihydrate) | KS-1054 | SY108184 | magnesium;5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;trihydrate | VEVZQDGATGBLIC-UHFFFAOYSA-N | E

사양 및 순도

pharmaceutical grade

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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등급

제약 등급

작업 유형

INHIBITOR

이름과 식별자

Pubchem Sid

504757003

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757003

정식 스마일

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.O.O.O.[Mg+2]

IUPAC Name

magnesium;5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;trihydrate

InChIKey

VEVZQDGATGBLIC-UHFFFAOYSA-N

INCHI

1S/2C17H18N3O3S.Mg.3H2O/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;;3*1H2/q2*-1;+2;;;

이성체 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.O.O.O.[Mg+2]

WGK 독일

3

대체 CAS

161973-10-0

PubChem CID

130565

분자량

767.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzimidazoles
      • Subclass Sulfinylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzimidazoles
• Subclass: Sulfinylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfinylbenzimidazoles
• Alternative Parents: Anisoles Methylpyridines Alkyl aryl ethers Imidazoles Heteroaromatic compounds Sulfoxides Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Sulfinylbenzimidazole - Anisole - Methylpyridine - Alkyl aryl ether - Benzenoid - Pyridine - Heteroaromatic compound - Imidazole - Azole - Sulfoxide - Azacycle - Sulfinyl compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 감도: light sensitive；Hygroscopic
• 분자량: 767.200 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 10
• Exact Mass: 766.231 Da
• Monoisotopic Mass: 766.231 Da
• Topological Polar Surface Area: 166.000 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 453.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 6

XLogP3

자주 묻는 질문

What does pharmaceutical grade mean?

pharmaceutical grade refers to material produced and controlled to meet the requirements of pharmaceutical manufacturing and regulated workflows. Depending on the specific designation (GMP, RUO, Bio-medical, Injection grade, etc.), this may include controlled manufacturing environments, validated processes, audit-ready documentation and traceability.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 217087-09-7, the molecular formula is C34H42MgN6O9S2, and the molecular weight is 767.17 g/mol. InChIKey VEVZQDGATGBLIC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.