Metanephrine - Moligand™, ≥98% , CAS No.5001-33-2

CAS: 5001-33-2 Cat. No.: M611804 분자식: C₁₀H₁₅NO₃ 분자량: 197.23 EC 번호: 691-307-4 PubChem CID: 21100

GRADE & PURITY Moligand™, ≥98%

Synonyms

3-O-Methylepinephrine | AKOS006230504 | BENZENEMETHANOL, 4-HYDROXY-3-METHOXY-.ALPHA.-((METHYLAMINO)METHYL)- | SPBio_002103 | Vanillyl alcohol, .alpha.-[(methylamino)methyl]- | Benzenemethanol, 4-hydroxy-3-methoxy-alpha-[(methylamino)methyl]- | Prestwick1_

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Metanephrine is the O-methylated metabolite of epinephrine that can be used for the research of diagnosis of pheochromocytoma.

Specifications

동의어

3-O-Methylepinephrine | AKOS006230504 | BENZENEMETHANOL, 4-HYDROXY-3-METHOXY-.ALPHA.-((METHYLAMINO)METHYL)- | SPBio_002103 | Vanillyl alcohol, .alpha.-[(methylamino)methyl]- | Benzenemethanol, 4-hydroxy-3-methoxy-alpha-[(methylamino)methyl]- | Prestwick1_

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

순수함

≥98%

이름과 식별자

Pubchem Sid

528776255

정식 스마일

CNCC(c1ccc(c(c1)OC)O)O

IUPAC Name

4-(1-hydroxy-2-methylaminoethyl)-2-methoxyphenol

InChIKey

JWJCTZKFYGDABJ-UHFFFAOYSA-N

INCHI

1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3

이성체 SMILES

CNCC(C1=CC(=C(C=C1)O)OC)O

PubChem CID

21100

분자량

197.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Ether - Secondary aliphatic amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Aromatic alcohol - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: a guaiacol

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive；Moisture sensitive
• 분자량: 197.230 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 197.105 Da
• Monoisotopic Mass: 197.105 Da
• Topological Polar Surface Area: 61.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 165.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1