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Grundinformationen
- CAS
13292-22-3- Standard-SMILES
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C- InChIKey
BBNQHOMJRFAQBN-UPZFVJMDSA-N- Summenformel
- C38H47NO13
- Durchschnittliche Molmasse
- 725,8 g/mol
- Monoisotopische Masse
- 725,30474055
Namen und Bezeichner
- Bevorzugter Name
- 3-Formylrifamycin
- IUPAC
- [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-formyl-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
- Lokaler Name
- Rifamycin, 3-Formyl-
- Englischer Name
- 3-Formyl rifamycin SV
- Summenformel
- C38H47NO13
- Molmasse
- 725.78
Namen und Synonyme
3-Formylrifamycin3-Formylrifamycin SVRifaldehyde13292-22-3Rifamycin AF3-Formylrifampicin SVRifamycin, 3-formyl-NCI 145-635C87UV623UL2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-8-carboxaldehyde, 1,2-dihydro-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, 21-acetate2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-8-carboxaldehyde, 1,2-dihydro-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, 21-acetateDTXSID201043051
Weitere Namen anzeigen
1,2-Dihydro-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-8-carboxaldehyde 21-Acetate1,2-Dihydro-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-β]furan-8-carboxaldehyde 21-Acetatenci145-635
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 218 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 13
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 52
- Formalladung
- 0
- Komplexität
- 1.410
Physikochemische Eigenschaften
- Schmelzpunkt
- 182 · 182-184°C
- Siedepunkt
- 855.4 · 855.4±65.0 °C(Predicted)
- Dichte
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated)
- Aggregatzustand
- Solid
- pka
- 4.75 · 4.75±0.70(Predicted)
- Farbe
- Red to Very Dark Red
- CAS Datenbank
- 13292 · 13292-22-3
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (75%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 InformationStatus: Active Update: 16-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19703
Hazard Classes and CategoriesAcute Tox. 4 (25%)；Eye Dam. 1 (75%)；Aquatic Acute 1 (50%)；Aquatic Chronic 1 (50%)
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 16-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19703
Sicherheitsdaten
Chemie und Industrie
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