![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 Setšoantšo se Featured](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
| Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
| Boima ba Molek'hule | 263.25 | - |
| Melting Point (Teko) | 177.1-178.3 °C | - |
| Sebaka se belang (Se boletsoeng esale pele) | 666.6±55.0 °C | Tobetsa: 760 Torr |
| Boima (bo boletsoeng esale pele) | 1.50±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr |
| pKa (E boletsoeng esale pele) | 11.20±0.20 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Lipososelo tsa Canonical O=C1C2=C(C=C3C(=O)CCN13)C(O)(C(=O)OC2)CC
Isomeric MISOSO 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-m
Senotlolo sa InChi
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
5 Mabitso a Mang a Ntho ena
(4S) -4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[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-pyrano[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-pyrano[3,4-f]indolizine-3,6,10 (4H)-trione
| Thepa e teng |
| Optical le ho hasana |
| Mocheso |
Optical le ho hasana
| Thepa | Boleng | Boemo | Mohloli |
| Matla a Rotatory a Optical | +120,6 dig | c: 0,62 g/100mL; Solvent: Chloroform | (1) IC |
| Matla a Rotatory a Optical | + 120,57 deg | c: 0,62 g/100mL; Solvent: Chloroform; Mocheso: 20 °C | (2) IC |
| Matla a Rotatory a Optical | + 119.57 deg | c: 1.0 g/100mL; Solvent: Chloroform; λ: 589,3 nm; Mocheso: 25 °C | (3) CAS |
| Matla a Rotatory a Optical | +119.57 likhato·mL/gdm | c: 1.0 g/100mL; Solvent: Chloroform; λ: mohala oa sodium D; Mocheso: 25 °C | (4) CAS |
| Matla a Rotatory a Optical | + 117,6 deg | c: 0,56 g/100mL; Solvent: Chloroform; Mocheso: 23 °C | (5) IC |
| Matla a Rotatory a Optical | +116.14 likhato·mL/gdm | c: 1.0 g/100mL; Solvent: Chloroform; λ: mohala oa sodium D; Mocheso: 26 °C | (4) CAS |
| Matla a Rotatory a Optical | + 96 deg | c: 0,40 g/100mL; Mocheso: 21 °C | (6) IC |
| Matla a Rotatory a Optical | +77,8 dig | c: 0,62 g/100mL; Solvent: Chloroform; λ: 589,3 nm; Mocheso: 25 °C | (7) CAS |
(1) Terasawa, Hirofumi; Bulletin ea Lik'hemik'hale le Meriana, (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; Khemistri - An Asian Journal, (2013), 8(3), 630-638, CAplus
(5) Ejima, Akio; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (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
Mocheso
| Thepa | Boleng | Boemo | Mohloli | |
| Melting Point | 183-185 °C (ho senyeha) | (1) CAS | ||
| Melting Point | 177.1-178.3 °C | (2) CAS | ||
| Melting Point | 176-177 °C (ho senyeha) | (3) IC | ||
| Melting Point | 169-170 °C | Solvent: | Ethyl acetate | (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; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), (1990) (1), 27-31, CAplus
(4) Wani, Mansukh C.; Journal of Medicinal Chemistry, (1987), 30(12), 2317-19, CAplus
Spectra e fumaneha
1H NMR
Mmisa
| Thepa e teng |
| Likokoana-hloko |
| Lik'hemik'hale |
| Botenya |
| Lipinski |
| Sebopeho se Amanang |
| Mocheso |
Likokoana-hloko
| Thepa | Boleng | Boemo | Mohloli |
| Bioconcentration Factor | 1.0 | pH 1; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lik'hemik'hale
| Thepa | Boleng | Boemo | Mohloli |
| Koc | 7.37 | pH 1; Mocheso: 25 °C | (1) ACD |
| Koc | 7.37 | pH 2; Mocheso: 25 °C | (1) ACD |
| Koc | 7.37 | pH 3; Mocheso: 25 °C | (1) ACD |
| Koc | 7.37 | pH 4; Mocheso: 25 °C | (1) ACD |
| Koc | 7.37 | pH 5; Mocheso: 25 °C | (1) ACD |
| Koc | 7.37 | pH 6; Mocheso: 25 °C | (1) ACD |
| Koc | 7.37 | pH 7; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Koc | 7.37 | pH 8; Mocheso: 25 °C | (1) ACD |
| Koc | 7.33 | pH 9; Mocheso: 25 °C | (1) ACD |
| Koc | 6.94 | pH 10; Mocheso: 25 °C | (1) ACD |
| logD | -0.94 | pH 1; Mocheso: 25 °C | (1) ACD |
| logD | -0.94 | pH 2; Mocheso: 25 °C | (1) ACD |
| logD | -0.94 | pH 3; Mocheso: 25 °C | (1) ACD |
| logD | -0.94 | pH 4; Mocheso: 25 °C | (1) ACD |
| logD | -0.94 | pH 5; Mocheso: 25 °C | (1) ACD |
| logD | -0.94 | pH 6; Mocheso: 25 °C | (1) ACD |
| logD | -0.94 | pH 7; Mocheso: 25 °C | (1) ACD |
| logD | -0.94 | pH 8; Mocheso: 25 °C | (1) ACD |
| logD | -0.94 | pH 9; Mocheso: 25 °C | (1) ACD |
| logD | -0.96 | pH 10; Mocheso: 25 °C | (1) ACD |
| logP | -0.936±0.842 | Mocheso: 25 °C | (1) ACD |
| Mass Intrinsic Sollubility | 371 g/L | Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 371 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 371 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 371 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 371 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 371 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 371 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 371 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 371 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 371 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 392 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 371 g/L | Metsi a sa tsitsang pH 5.53; Mocheso: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.41 mol/L | Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli | |
| Molar Solubility | 1.41 mol/L | pH 6; Mocheso: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | pH 7; Mocheso: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | pH 8; Mocheso: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | pH 9; Mocheso: 25 °C | (1) ACD | |
| Molar Solubility | 1.49 mol/L | pH 10; Mocheso: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | Metsi a sa tsitsang pH 5.53; Mocheso: 25 °C | (1) ACD | |
| Boima ba Molek'hule | 263.25 | |||
| pKa | 11.20±0.20 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD | |
| pKa | -2,24±0,40 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD | |
| Khatello ea Mouoane | 1.29 x 10-20 | Serobetsa | Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Botenya
| Thepa | Boleng | Boemo | Mohloli |
| Botenya | 1.50±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
| Molumo oa Molar | 174.8±5.0 cm3/mol | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Thepa | Boleng | Boemo | Mohloli |
| Li-Bonds tse ka fetolehang ka bolokolohi | 2 | (1) ACD | |
| H Ba amohelang | 6 | (1) ACD | |
| H Bafani | 1 | (1) ACD | |
| H Kakaretso ea Mofani/Moamoheli | 7 | (1) ACD | |
| logP | -0.936±0.842 | Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 263.25 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Sebopeho se Amanang
| Thepa | Boleng | Boemo | Mohloli |
| Sebaka sa Polar Surface | 83.9 A2 | (1) ACD | |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Mocheso
| Thepa | Boleng | Boemo | Mohloli |
| Ntlha e belang | 666.6±55.0 °C | Tobetsa: 760 Torr | (1) ACD |
| Enthalpy ea vaporization | 112.17±6.0 kJ/mol | Tobetsa: 760 Torr | (1) ACD |
| Flash point | 357.0±31.5 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra e fumaneha
1H NMR
13C NMR
| Khoutu | Polelo ea Kotsi | Mohloli |
| H319 | E baka ho teneha ho hoholo ha mahlo | European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngolisoa - litsebiso tse tloaelehileng haholo, Sehlopha sa European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngola - litsebiso tse tebileng ka ho fetisisa. |
| H302 | E kotsi haeba e koetsoe | European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngolisoa - litsebiso tse tloaelehileng haholo, Sehlopha sa European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngola - litsebiso tse tebileng ka ho fetisisa. |
Boitsebiso ba Lekunutu ba Khoebo: Bohle
| Regulatory Synonyms | ||
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno(3,4-f)indolizine-3,6,10(4H)-trione | - | Sefora |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno[3,4-f]indolizine-3,6,10(4H)-trione | - | Sefora |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Sedanishe, Sejeremane |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizine-3,6,10(4H)-trion | - | Se-Dutch |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Sedanishe, Sejeremane |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trion | - | Se-Dutch |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[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 | - | Sepotoketsi, Sepanish |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano[3,4-f]indolizina-3,6,10(4H)-triona | - | Sepotoketsi, Sepanish |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano(3,4-f)indolizin-3,6,10(4H)-trione | - | Setaliana |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano[3,4-f]indolizin-3,6,10(4H)-trione | - | Setaliana |
| (S)-4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Seswedishe |
| (S)-4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Seswedishe |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano(3,4-f) indolitsiini-3,6,10(4H)-trioni | - | Sefinnishe |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano[3,4-f]indolitsiini-3,6,10(4H)-trioni | - | Sefinnishe |
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