(4'S)-4'-Ethyl-7',8'-dihydro-4'-hydroxyspiro[1,3-dioxolane-2,6'(3'H)-[1H]pyrano[3,4-f]indolizine]-3',10'(4'H)-dione
Grundinformationen
- CAS
110351-93-4- Standard-SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)CCC12OCCO2- InChIKey
GHFZMAJAVDXFDR-AWEZNQCLSA-N- Summenformel
- C15H17NO6
- Durchschnittliche Molmasse
- 307,3 g/mol
- Monoisotopische Masse
- 307,10558726
Namen und Bezeichner
- Bevorzugter Name
- (4'S)-4'-Ethyl-7',8'-dihydro-4'-hydroxyspiro[1,3-dioxolane-2,6'(3'H)-[1H]pyrano[3,4-f]indolizine]-3',10'(4'H)-dione
- IUPAC
- (4'S)-4'-ethyl-4'-hydroxyspiro[1,3-dioxolane-2,6'-7,8-dihydro-1H-pyrano[3,4-f]indolizine]-3',10'-dione
- Englischer Name
- CHUGAI-01 (4'S)-4'-ethyl-1',4',7',8'-tetrahydro-4'-hydroxy-3'H,10'H-spiro[1,3-dioxolane-2,6'-pyrano[3,4-f]indolizine]-3',10'-dione
- Summenformel
- C15H17NO6
- Molmasse
- 307.3
Namen und Synonyme
110351-93-4(4'S)-4'-Ethyl-7',8'-dihydro-4'-hydroxyspiro[1,3-dioxolane-2,6'(3'H)-[1H]pyrano[3,4-f]indolizine]-3',10'(4'H)-dione(4'S)-4'-Ethyl-7',8'-dihydro-4'-hydroxyspiro(1,3-dioxolane-2,6'(3'H)-(1H)pyrano(3,4-f)indolizine)-3',10'(4'H)-dioneRefChem:208413Exatecan intermediate 12MFCD09955364(S)-4-ETHYL-4-HYDROXY-1,4,7,8-TETRAHYDRO-3H,10H-SPIRO[PYRANO[3,4-F]INDOLIZINE-6,2'-[1,3]DIOXOLANE]-3,10-DIONESpiro[1,3-dioxolane-2,6'(3'H)-[1H]pyrano[3,4-f]indolizine]-3',10'(4'H)-dione, 4'-ethyl-7',8'-dihydro-4'-hydroxy-, (4'S)-(S)-4'-ethyl-4'-hydroxy-7',8'-dihydrospiro[[1,3]dioxolane-2,6'-pyrano[3,4-f]indolizine]-3',10'(1'H,4'H)-dioneNSC632495CHUGAI-01SCHEMBL7162448
Weitere Namen anzeigen
(S-Dione)Camptothecin Impurity 810'H-spiro[1,3-dioxolane-2,6'-pyrano[3,4-f]indolizine]-3',10'-dione(S)-4-Ethyl-6,6-(ethylenedioxy)-7,8-dihydro- 4-hydroxy-1H-pyrano-(3,4-f)indolizine- 3,10(4H)-dione
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,2
- Polarare Oberfläche (TPSA)
- 85,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 630
Physikochemische Eigenschaften
- Schmelzpunkt
- 163 · 163-164 °C
- Siedepunkt
- 655.4 · 655.4±55.0 °C(Predicted)
- Dichte
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- Aggregatzustand
- Solid
- pka
- 11.66 · 11.66±0.20(Predicted)
- Farbe
- White to off-white
Chemie und Industrie
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