Bromfenac sodium hydrate - ≥97% , CAS No.120638-55-3

CAS: 120638-55-3 Cat. No.: B299514 분자식: C₁₅H₁₁BrNNaO₃·1.5H₂O 분자량: 383.17 EC 번호: 695-342-6

GRADE & PURITY ≥97%

Synonyms

UNII-60Z60NTL4G | SODIUM (-AMINO-3-(P-BROMOBENZOYL)PHENYL)ACETATE SESQUIHYDRATE | disodium;2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate;trihydrate | sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate sesquihydrate | UNII-8ECV571Y37 | BENZENEACETIC ACID, 2-AM

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

UNII-60Z60NTL4G | SODIUM (-AMINO-3-(P-BROMOBENZOYL)PHENYL)ACETATE SESQUIHYDRATE | disodium;2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate;trihydrate | sodium [2-amino-3-(4-bromobenzoyl)phenyl]acetate sesquihydrate | UNII-8ECV571Y37 | BENZENEACETIC ACID, 2-AM

사양 및 순도

≥97%

생화학 및 생리적 메커니즘

Bromofenac exhibits antipyretic and inhibitory properties of prostaglandin synthase. It has a therapeutic effect on relieving eye pain and inflammation in patients with postoperative cataract. Bromofenac is an effective drug against allergic conjunctiviti

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 504766814
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766814
• 정식 스마일: C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].O.O.O.[Na+].[Na+]
• IUPAC Name: disodium;2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate;trihydrate
• InChIKey: PPOSVVJOVKVBPW-UHFFFAOYSA-L
• INCHI: 1S/2C15H12BrNO3.2Na.3H2O/c2*16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;;;;;/h2*1-7H,8,17H2,(H,18,19);;;3*1H2/q;;2*+1;;;/p-2
• 이성체 SMILES: C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].O.O.O.[Na+].[Na+]
• 대체 CAS: 91714-94-2
• 분자량: 383.17
• Reaxy-Rn: 43470209
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43470209&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Aryl-phenylketones Diphenylmethanes Aniline and substituted anilines Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous amides Amino acids Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organobromides Organopnictogen compounds Primary amines
• Molecular Framework: Not available
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aniline or substituted anilines - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Ketone - Organic metal halide - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• External Descriptors: hydrate - organobromine compound - organic sodium salt - benzophenones - substituted aniline

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

관련 대상(인간)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: H2O: ≥5 mg/mL
• 분자량: 766.300 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 765.994 Da
• Monoisotopic Mass: 763.996 Da
• Topological Polar Surface Area: 169.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 361.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 7

XLogP3