Mycophenolate sodium - ≥98% , Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor, CAS No.37415-62-6, Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor

CAS: 37415-62-6 Cat. No.: M339508 Summenformel: C₁₇H₁₉NaO₆ Molekulargewicht: 342.32 EG-Nummer: 687-703-1

QUALITÄT & REINHEIT ≥98%

Synonyms

MYCOPHENOLATE SODIUM (USP-RS)|Mycophenolate sodium [USAN]|2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo[d]thiazol-3-ium chloride (Thioflavin T)|4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, sodium salt|MYCOPHENOLATE SODIUM (EP MONOGRAPH)|starbld0043375|Myfortic|Sodium 4(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate|Mycophenolate (sodium)|Mycophenolic acid (sodium)|4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, monosodium salt, (4E)-|Socium Mycophenolate|MYCOPHENOLATESODIUM|MYCOPHENOLATE SODIUM|Chlorazol Leather Black BH|sodium;(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate|4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, sodium salt(1:1) , (4E)-|EC-MPS|EGP437. Dex-Phos|Monolite Fast Scarlet RT|sodium;(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid|MYCOPHENOLATE SODIUM [MART.]|Mycophenolic sod|Mycophenolic acid sodium salt|MYCOPHENOLIC ACID SODIUM SALT [MI]|MYCOPHENOLATE SODIUM [USP-RS]|Mycophenolic acid monosodium salt|Femulan|Mycophenolate sodium (USP)|MYCOPHENOLATE SODIUM [EP MONOGRAPH]|Mycophenolic sodium|Myfortic (TN)|4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, monosodium salt, (E)-|ERL 080A|Sodium (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate|ERL-080A|Mycophenolic acid, sodium salt|5-Amino-3-({4'-[(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl][1,1'-biphenyl]-4-yl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonic acid|sodium (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate|ERL 080|MYCOPHENOLATE SODIUM (USP MONOGRAPH)|MYCOPHENOLATE SODIUM [WHO-DD]|ERL-080|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-|MYCOPHENOLATE SODIUM [USP MONOGRAPH]|Benzoic acid, 5-((4'-((7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, disodium salt|MYCOPHENOLATE SODIUM [VANDF]|Sodium mycophenolate

Storage

Store at 2-8°C

Shipped In

Wet ice

Spezifikationen

Synonyme

MYCOPHENOLATE SODIUM (USP-RS) | Mycophenolate sodium [USAN] | 2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo[d]thiazol-3-ium chloride (Thioflavin T) | 4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, sodium salt | MYCOPHENOLATE SODIUM (EP MONOGRAPH) | starbld0043375 | Myfortic | Sodium 4(E)-6-(4-hydroxy-6-met Show more

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508817193

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508817193

Kanonisches Lächeln

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)[O-])O.[Na+]

IUPAC Name

sodium;(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate

InChIKey

DOZYTHNHLLSNIK-JOKMOOFLSA-M

INCHI

1S/C17H20O6.Na/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3;/h4,20H,5-8H2,1-3H3,(H,18,19);/q;+1/p-1/b9-4+;

Isomere SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)[O-])O.[Na+]

Molekulargewicht

342.32

Reaxy-Rn

14419686

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14419686&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Isocoumarans
      • Subclass Isobenzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Isocoumarans
• Subclass: Isobenzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalides
• Alternative Parents: Anisoles Medium-chain fatty acids Alkyl aryl ethers Hydroxy fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Vinylogous acids Carboxylic acid esters Carboxylic acid salts Lactones Carboxylic acids Oxacyclic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalide - Anisole - Medium-chain fatty acid - Alkyl aryl ether - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Vinylogous acid - Carboxylic acid ester - Lactone - Carboxylic acid salt - Carboxylic acid derivative - Organic alkali metal salt - Oxacycle - Ether - Carboxylic acid - Organic sodium salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic salt - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.
• External Descriptors: organic sodium salt

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

Chemische und physikalische Eigenschaften

• Löslichkeit: mixes with water (>100 g/l, 25 C). Solubilities: (m/V): 1-octanol 0.22%; ethanol 0.6%. Highly sol in aqueous media at physiological pH. Practically insol in 0.1N HCl
• Brechungsindex: n20D~1.58
• Schmelzpunkt (°C): 184-185° C (lit.)
• Molekulargewicht: 342.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 342.108 Da
• Monoisotopic Mass: 342.108 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 491.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3