![C13H13NO5 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S) - (9CI, ACI) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-PYRANO [3,4-F] Indolizine-3,6,10 (4H) -trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S) - (9CI, ACI) H319, H302 immaġni dehru](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S) - (9CI, ACI) H319, H302
| Propjetajiet fiżiċi ewlenin | Valur | Kundizzjoni |
| Piż molekulari | 263.25 | - |
| Punt ta 'tidwib (sperimentali) | 177.1-178.3 ° C. | - |
| Punt tat-togħlija (imbassar) | 666.6 ± 55.0 ° C. | Agħfas: 760 Torr |
| Densità (prevista) | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr |
| PKA (imbassar) | 11.20 ± 0.20 | L-iktar temp aċiduż: 25 ° C |
Tbissem kanoniku O = C1C2 = C (C = C3C (= O) CCN13) C (O) (C (= O) OC2) CC
Tbissem isomeriku C (C) [C @] 1 (O) C2 = C (C (= O) N3C (= C2) C (= O) CC3) COC1 = O.
Inchi
INCHI = 1S / C13H13NO5 / C1-2-13 (18) 8-5-9-10 (15) 3-4-14 (9) 11 (16) 7 (8) 6-19-12 (13) 17 / H5,18H, 2-4,6H2,1H3 / T13- / M0 / M0 / S1
INCHI Key
Igkwogmvaoyvsj-zdusscgksa-n
5 Ismijiet oħra għal din is-sustanza
(4s) -4-ethyl-7,8-dihydro-4-hydroxy-1h-pirano [3,4-f] indolizine-3,6,10 (4H) -trione (ACI); 1H-Pyrano [3,4-F] Indolizine-3,6,10 (4H) -trione, 4- Ethyl-7,8-Dihydro-4-Hydroxy-, (S) - (ZCI); (4s) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pirano [3,4-F] indolizine-3,6,10 (4H) Trione; (4s) -4-ethyl-4-
Hydroxy-7,8-dihydro-1H-Pyrano [3,4-F] Indolizine-3,6,10-Trione; (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pirano [3,4-f] indolizine-3,6,10 (4H) -trione
| Proprjetajiet disponibbli |
| Ottiku u tifrix |
| Termali |
Ottiku u tifrix
| Proprjetà | Valur | Kundizzjoni | Sors |
| Qawwa rotatorja ottika | +120.6 deg | C: 0.62 g / 100ml; Solvent: kloroform | (1) IC |
| Qawwa rotatorja ottika | +120.57 deg | C: 0.62 g / 100ml; Solvent: kloroform; Temp: 20 ° C. | (2) IC |
| Qawwa rotatorja ottika | +119.57 deg | C: 1.0 g / 100ml; Solvent: kloroform; λ: 589.3 nm; Temp: 25 ° C. | (3) CAS |
| Qawwa rotatorja ottika | +119.57 gradi · ml / g · DM | C: 1.0 g / 100ml; Solvent: kloroform; λ: linja tas-sodju D; Temp: 25 ° C. | (4) CAS |
| Qawwa rotatorja ottika | +117.6 deg | C: 0.56 g / 100ml; Solvent: kloroform; Temp: 23 ° C. | (5) IC |
| Qawwa rotatorja ottika | +116.14 gradi · ml / g · DM | C: 1.0 g / 100ml; Solvent: kloroform; λ: linja tas-sodju D; Temp: 26 ° C. | (4) CAS |
| Qawwa rotatorja ottika | +96 grad | C: 0.40 g / 100ml; Temp: 21 ° C. | (6) IC |
| Qawwa rotatorja ottika | +77.8 grad | C: 0.62 g / 100ml; Solvent: kloroform; λ: 589.3 nm; Temp: 25 ° C. | (7) CAS |
(1) Terasawa, Hirofumi; Bulettin Kimiku u Farmaċewtiku, (1989), 37 (12), 3382-5, Caplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, Caplus
(3) Henegar, Kevin E .; Journal of Organic Chemistry, (1997), 62 (19), 6588-6597, Caplus
(4) Watanabe, Tatsuya; Kimika - Ġurnal Asjatiku, (2013), 8 (3), 630-638, Caplus
(5) Ejima, Akio; Ġurnal tas-Soċjetà Kimika, Tranżazzjonijiet Perkin 1: Kimika Organika u Bio-Organika (1972-1999), (1990) (1), 27-31, Caplus
(6) Wani, Mansukh C.; Journal of Medicinal Chemistry, (1987), 30 (12), 2317-19, Caplus
(7) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
Termali
| Proprjetà | Valur | Kundizzjoni | Sors | |
| Punt ta 'tidwib | 183-185 ° C (DECOMP) | (1) CAS | ||
| Punt ta 'tidwib | 177.1-178.3 ° C. | (2) CAS | ||
| Punt ta 'tidwib | 176-177 ° C (DECOMP) | (3) IC | ||
| Punt ta 'tidwib | 169-170 ° C. | Solvent: | Aċetat tal-etil | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
(2) Henegar, Kevin E .; Journal of Organic Chemistry, (1997), 62 (19), 6588-6597, Caplus
(3) Ejima, Akio; Ġurnal tas-Soċjetà Kimika, Tranżazzjonijiet Perkin 1: Kimika Organika u Bio-Organika (1972-1999), (1990) (1), 27-31, Caplus
(4) Wani, Mansukh C.; Journal of Medicinal Chemistry, (1987), 30 (12), 2317-19, Caplus
Spettri disponibbli
1H NMR
Massa
| Proprjetajiet disponibbli |
| Bijoloġiku |
| Kimika |
| Densità |
| Lipinski |
| Struttura relatata |
| Termali |
Bijoloġiku
| Proprjetà | Valur | Kundizzjoni | Sors |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 3; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 5; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 6; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 7; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 8; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 9; Temp: 25 ° C. | (1) ACD |
| Fattur tal-bijokonċentrazzjoni | 1.0 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Kimika
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 7.37 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 7.37 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 7.37 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 7.37 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 7.37 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 7.37 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 7.37 | pH 7; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors |
| Koc | 7.37 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 7.33 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 6.94 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.94 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | -0.96 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | -0.936 ± 0.842 | Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika tal-massa | 371 g / l | Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 371 g / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 371 g / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 371 g / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 371 g / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 371 g / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 371 g / l | pH 6; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 371 g / l | pH 7; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 371 g / l | pH 8; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 371 g / l | pH 9; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 392 g / l | pH 10; Temp: 25 ° C. | (1) ACD |
| Solubilità tal-Massa | 371 g / l | Ilma mhux imballat pH 5.53; Temp: 25 ° C. | (1) ACD |
| Solubilità intrinsika molari | 1.41 mol / l | Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.41 mol / l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.41 mol / l | pH 2; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.41 mol / l | pH 3; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.41 mol / l | pH 4; Temp: 25 ° C. | (1) ACD |
| Solubilità molari | 1.41 mol / l | pH 5; Temp: 25 ° C. | (1) ACD |
| Proprjetà | Valur | Kundizzjoni | Sors | |
| Solubilità molari | 1.41 mol / l | pH 6; Temp: 25 ° C. | (1) ACD | |
| Solubilità molari | 1.41 mol / l | pH 7; Temp: 25 ° C. | (1) ACD | |
| Solubilità molari | 1.41 mol / l | pH 8; Temp: 25 ° C. | (1) ACD | |
| Solubilità molari | 1.41 mol / l | pH 9; Temp: 25 ° C. | (1) ACD | |
| Solubilità molari | 1.49 mol / l | pH 10; Temp: 25 ° C. | (1) ACD | |
| Solubilità molari | 1.41 mol / l | Ilma mhux imballat pH 5.53; Temp: 25 ° C. | (1) ACD | |
| Piż molekulari | 263.25 | |||
| PKA | 11.20 ± 0.20 | L-iktar temp aċiduż: 25 ° C | (1) ACD | |
| PKA | -2.24 ± 0.40 | L-iktar temp bażiku: 25 ° C | (1) ACD | |
| Pressjoni tal-fwar | 1.29 x 10-20 | Torr | Temp: 25 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densità
| Proprjetà | Valur | Kundizzjoni | Sors |
| Densità | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
| Volum molari | 174.8 ± 5.0 cm3 / mol | Temp: 20 ° C; Agħfas: 760 Torr | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Proprjetà | Valur | Kundizzjoni | Sors |
| Bonds li jduru liberament | 2 | (1) ACD | |
| H aċċettaturi | 6 | (1) ACD | |
| H donaturi | 1 | (1) ACD | |
| H Donatur / Aċċettatur Somma | 7 | (1) ACD | |
| logp | -0.936 ± 0.842 | Temp: 25 ° C. | (1) ACD |
| Piż molekulari | 263.25 |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struttura relatata
| Proprjetà | Valur | Kundizzjoni | Sors |
| Erja tal-wiċċ polari | 83.9 A2 | (1) ACD | |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Termali
| Proprjetà | Valur | Kundizzjoni | Sors |
| Punt tat-togħlija | 666.6 ± 55.0 ° C. | Agħfas: 760 Torr | (1) ACD |
| Entalpija tal-vaporizzazzjoni | 112.17 ± 6.0 kJ / mol | Agħfas: 760 Torr | (1) ACD |
| Punt flash | 357.0 ± 31.5 ° C. | (1) ACD |
(1) Ikkalkulat bl-użu ta 'Żvilupp tal-Kimika Avvanzata (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spettri disponibbli
1H NMR
13C NMR
| Kodiċi | Dikjarazzjoni tal-Periklu | Sors |
| H319 | Tikkawża irritazzjoni serja fl-għajnejn | Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Tikkettar Inventarju - Klassifikazzjoni u Tikkettar Notifikati - L-iktar Notifiki Komuni, Klassifikazzjoni tal-Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Inventarju tat-Tikkettar - Klassifikazzjoni u Tikkettar Notifikati - L-iktar notifiki serji |
| H302 | Ta 'ħsara jekk tinbela' | Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Tikkettar Inventarju - Klassifikazzjoni u Tikkettar Notifikati - L-iktar Notifiki Komuni, Klassifikazzjoni tal-Aġenzija Kimika Ewropea (ECHA) Klassifikazzjoni u Inventarju tat-Tikkettar - Klassifikazzjoni u Tikkettar Notifikati - L-iktar notifiki serji |
Informazzjoni dwar in-Negozju Kunfidenzjali: Pubbliku
| Sinonimi regolatorji | ||
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyranno (3,4-f) indolizine-3,6,10 (4H) -trione | - | Franċiż |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyranno [3,4-f] indolizine-3,6,10 (4H) -trione | - | Franċiż |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pirano (3,4-f) indolizin-3,6,10 (4H) -trion | - | Daniż, Ġermaniż |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pirano (3,4-F) indolizine-3,6,10 (4H) -trion | - | Olandiż |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pirano [3,4-f] indolizin-3,6,10 (4H) -trion | - | Daniż, Ġermaniż |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pirano [3,4-f] indolizine-3,6,10 (4H) -trion | - | Olandiż |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pirano [3,4-f] indolizine-3,6,10 (4H) -trione | - | - |
| (S) -4-ETIL-4-HIDROXI-7,8-DIHIDRO-1H-PIRANO (3,4-F) Indolizina-3,6,10 (4H) -triona | - | Portugiż, Spanjol |
| (S) -4-ETIL-4-HIDROXI-7,8-DIHIDRO-1H-PIRANO [3,4-F] Indolizina-3,6,10 (4H) -triona | - | Portugiż, Spanjol |
| (S) -4-ETIL-4-IDROSSI-7,8-DIIDRO-1H-PIRANO (3,4-F) Indolizin-3,6,10 (4H) -trione | - | Taljan |
| (S) -4-ETIL-4-IDROSSI-7,8-DIIDRO-1H-PIRANO [3,4-F] indolizin-3,6,10 (4H) -trione | - | Taljan |
| (S) -4-etil-4-hydroxi-7,8-dihydro-1H-Pyrano (3,4-F) indolizin-3,6,10 (4H) -trion | - | Svediż |
| (S) -4-etil-4-hydroxi-7,8-dihydro-1H-Pyrano [3,4-F] indolizin-3,6,10 (4H) -trion | - | Svediż |
| (S) -4-Etyyli-4-Hydroksi-7,8-Dihydro-1H-Pyrano (3,4-F) Indolitsiini-3,6,10 (4H) -trioni | - | Finlandiż |
| (S) -4-TEYYLI-4-HYDROKSI-7,8-DIHYDRO-1H-PIRANO [3,4-F] indolitsiini-3,6,10 (4H) -trioni | - | Finlandiż |
Dettalji skont il-pajjiż / internazzjonali u listi oħra
Kodiċi tat-Tariffa Armonizzata: 293499 Informazzjoni dwar il-Pajjiż / Reġjun Disponibbli
Sommarju tal-Unjoni Ewropea
Bnadar tal-UE
Kodiċi Doganali tal-UE NM: 29349990
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