Riboflavin-5'-(natriumhydrogenphosphat)

Riboflavin sodium phosphate

HCID 23666409CAS 130-40-5

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Grundinformationen

Standard-SMILES: Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])O)c2cc1C.[Na+]
InChIKey: OHSHFZJLPYLRIP-BMZHGHOISA-M
Summenformel: C17H20N4NaO9P
Durchschnittliche Molmasse: 478,3 g/mol
Monoisotopische Masse: 478,08655951

Namen und Bezeichner

Bevorzugter Name: Riboflavin sodium phosphate
IUPAC: sodium [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
Lokaler Name: Riboflavin-5'-(natriumhydrogenphosphat)
Englischer Name: Riboflavin 5'-Monophosphate Sodium Salt
Summenformel: C17H21N4O9P.Na
Molmasse: 479.33

Namen und Synonyme

130-40-5riboflavin sodium phosphateRIBOFLAVIN PHOSPHATE SODIUMRiboflavin-5-phosphate sodiumRiboflavin 5'-monophosphate sodium saltRiboflavina 5 fosfato de sodioRiboflavine-5'-phosphate sodiumRiboflavin 5'-phosphate sodium anhydrousRiboflavin 5'-(dihydrogen phosphate), sodium salt (1:1)Flavin Mononucleotide Sodium SaltSodium Riboflavin PhosphateRIBOFLAVIN 5-PHOSPHATE SODIUM

Weitere Namen anzeigen

FLAVIN MONONUCLEOTIDERIBOFLAVIN-5-PHOSPHATERIBOFLAVIN 5'-PHOSPHATE SODIUMRiboRiboflavin Phosphate Sodium Salt(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen phosphateTenofovir Impurity 155Vitamin B2 Sodium Phosphate

Riboflavin (phosphate sodium)957E53WV42NSC 759230Riboflavin monophosphate monosodium saltSodium (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl hydrogen phosphateMFCD00065362FMN-NaFLAVIN MONONUCLEOTIDE MONOSODIUM SALT [MI]

Datenbank-Bezeichner

CAS: 130-40-5、22251-85-0
PubChem CID: 23666409
DTXSID: DTXSID80889330
ChEBI: CHEBI:32098
UNII: 957E53WV42
EC Number: 204-988-6、244-868-0

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 204 Å²
H-Brücken-Donoren: 5
H-Brücken-Akzeptoren: 10
Frei drehbare Bindungen: 7
Schwere Atome: 32
Formalladung: 0
Komplexität: 856

Experimentelle und physikochemische Eigenschaften

Physical DescriptionExists as the dihydrate: Yellow solid; [Merck Index] Yellow to orange hygroscopic solid; [JECFA]

Collision Cross Section197.2 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300°C
FEMA: 2976 · 2976 | QUININE HYDROCHLORIDE
Brechungsindex: 41 ° · 41 ° (C=1.5, 5mol/L HCl)
storage temp.: 2 · 2-8°C
Löslichkeit: 2 O: · H2O: soluble50mg/mL, clear, orange
Aggregatzustand: powder
Farbe: Yellow to Dark Orange
Biologische Quelle: synthetic
Wasserlöslichkeit: almost transparency
Merck: 14 · 14,8201
BRN: 4106529 · 4106529
Stabilität: Stable. Incompatible with strong oxidizing agents, reducing agents, bases, calcium, metallic salts. Protect from light, air and moisture.
Major Application: pharmaceutical (small molecule)
Kosmetik-Inhaltsstoffe Funktionen: SKIN CONDITIONING
InChIKey: OHSHFZJLPYLRIP-BMZHGHOISA-M
SMILES: [Na+].Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)COP(O)([O-])=O)c2cc1C
LogP: -2.193 · -2.193 (est)
CAS Datenbank: 130 · 130-40-5(CAS DataBase Reference)
EPA chemische Informationen: 5 · Riboflavin 5'-(dihydrogen phosphate), monosodium salt (130-40-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 97% (65 of 67) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 65 of 67 companies (only 3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 65 of 67 reports by companies.；There is 1 notification provided by 2 of 67 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Regulation (EC) No 1831/2003 (amended)

Riboflavin 5-phosphate sodium: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; Prolonged or repeated exposure may cause skin discoloration; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesNot Classified

Regulatorische Informationen

Regulatory Information · 2 Einträge

Regulation (EC) No 1831/2003 (amended)

Riboflavin 5-phosphate sodium: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F: 3-8-10
wgk: 3
tsca: TSCA listed
hs_code: 29362300
risk_code: 36/38
hazard_code: Xi
safety_code: 22-24/25-37/39-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

UsesA bioactive form of riboflavin; [Merck Index] Used as a nutritional supplement; [FDA] Used as a coloring agent for foods; [JECFA]

Use ClassificationCosmetics -> Skin conditioning

General Manufacturing InformationRiboflavin 5'-(dihydrogen phosphate), sodium salt (1:1): ACTIVE

Anwendungen · 1 Eintrag

VerwendenOne of the bioactive forms of Riboflavin. Nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, leafy vegetables. Richest natural source is yeast. Minute amounts present in all plant and animal cells. Vitamin (enzyme cofactor).