![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, Chithunzi cha H302](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
| Zofunika Zathupi | Mtengo | Mkhalidwe |
| Kulemera kwa Maselo | 263.25 | - |
| Melting Point (Zoyeserera) | 177.1-178.3 °C | - |
| Boiling Point (Zonenedweratu) | 666.6±55.0 °C | Press: 760 Torr |
| Kachulukidwe (Zonenedweratu) | 1.50±0.1 g/cm3 | Kutentha: 20 ° C;Press: 760 Torr |
| pKa (Zonenedweratu) | 11.20±0.20 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical AMAmwetulira O=C1C2=C(C=C3C(=O)CCN13)C(O)(C(=O)OC2)CC
Isomeric AMAmwetulira 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/s1
InChi Key
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
5 Maina ena a chinthu ichi
(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
| Katundu zilipo |
| Kuwala ndi Kubalalika |
| Kutentha |
Kuwala ndi Kubalalika
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Mphamvu Yozungulira ya Optical | + 120.6 deg | c: 0,62 g/100mL;Zosungunulira: Chloroform | (1) IC |
| Mphamvu Yozungulira ya Optical | + 120.57 deg | c: 0,62 g/100mL;Zosungunulira: Chloroform;Kutentha: 20 ° C | (2) IC |
| Mphamvu Yozungulira ya Optical | + 119.57 deg | c: 1.0 g/100mL;Zosungunulira: Chloroform;: 589.3 nm;Kutentha: 25 ° C | (3) CAS |
| Mphamvu Yozungulira ya Optical | +119.57 madigiri ·mL/gdm | c: 1.0 g/100mL;Zosungunulira: Chloroform;λ: Mzere wa sodium D;Kutentha: 25 ° C | (4) CAS |
| Mphamvu Yozungulira ya Optical | + 117.6 deg | c: 0,56 g/100mL;Zosungunulira: Chloroform;Kutentha: 23 ° C | (5) IC |
| Mphamvu Yozungulira ya Optical | +116.14 madigiri ·mL/gdm | c: 1.0 g/100mL;Zosungunulira: Chloroform;λ: Mzere wa sodium D;Kutentha: 26 ° C | (4) CAS |
| Mphamvu Yozungulira ya Optical | + 96 deg | c: 0,40 g/100mL;Kutentha: 21 ° C | (6) IC |
| Mphamvu Yozungulira ya Optical | + 77.8 deg | c: 0,62 g/100mL;Zosungunulira: Chloroform;: 589.3 nm;Kutentha: 25 ° C | (7) CAS |
(1) Terasawa, Hirofumi;Chemical & Pharmaceutical Bulletin, (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;Chemistry - 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
Kutentha
| Katundu | Mtengo | Mkhalidwe | Gwero | |
| Melting Point | 183-185 ° C (kuwola) | (1) CAS | ||
| Melting Point | 177.1-178.3 °C | (2) CAS | ||
| Melting Point | 176-177 ° C (kuwonongeka) | (3) IC | ||
| Melting Point | 169-170 ° C | Zosungunulira: | 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 ilipo
1H NMR
Misa
| Katundu zilipo |
| Zachilengedwe |
| Chemical |
| Kuchulukana |
| Lipinski |
| Zogwirizana ndi Kapangidwe |
| Kutentha |
Zachilengedwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Bioconcentration Factor | 1.0 | pH 1;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9;Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10;Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Koc | 7.37 | pH 1;Kutentha: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 2;Kutentha: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 3;Kutentha: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 4;Kutentha: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 5;Kutentha: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 6;Kutentha: 25 ° C | (1) ACD |
| Koc | 7.37 | pH 7;Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Koc | 7.37 | pH 8;Kutentha: 25 ° C | (1) ACD |
| Koc | 7.33 | pH 9;Kutentha: 25 ° C | (1) ACD |
| Koc | 6.94 | pH 10;Kutentha: 25 ° C | (1) ACD |
| logD | -0.94 | pH 1;Kutentha: 25 ° C | (1) ACD |
| logD | -0.94 | pH 2;Kutentha: 25 ° C | (1) ACD |
| logD | -0.94 | pH 3;Kutentha: 25 ° C | (1) ACD |
| logD | -0.94 | pH 4;Kutentha: 25 ° C | (1) ACD |
| logD | -0.94 | pH 5;Kutentha: 25 ° C | (1) ACD |
| logD | -0.94 | pH 6;Kutentha: 25 ° C | (1) ACD |
| logD | -0.94 | pH 7;Kutentha: 25 ° C | (1) ACD |
| logD | -0.94 | pH 8;Kutentha: 25 ° C | (1) ACD |
| logD | -0.94 | pH 9;Kutentha: 25 ° C | (1) ACD |
| logD | -0.96 | pH 10;Kutentha: 25 ° C | (1) ACD |
| logP | -0.936±0.842 | Kutentha: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 371 g/l | Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 371 g/l | pH 1;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 371 g/l | pH 2;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 371 g/l | pH 3;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 371 g/l | pH 4;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 371 g/l | pH 5;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 371 g/l | pH 6;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 371 g/l | pH 7;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 371 g/l | pH 8;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 371 g/l | pH 9;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 392g/l | pH 10;Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 371 g/l | Madzi Osasunthika pH 5.53;Kutentha: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 1.41 mol / L | Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.41 mol / L | pH 1;Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.41 mol / L | pH 2;Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.41 mol / L | pH 3;Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.41 mol / L | pH 4;Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.41 mol / L | pH 5;Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero | |
| Molar Solubility | 1.41 mol / L | pH 6;Kutentha: 25 ° C | (1) ACD | |
| Molar Solubility | 1.41 mol / L | pH 7;Kutentha: 25 ° C | (1) ACD | |
| Molar Solubility | 1.41 mol / L | pH 8;Kutentha: 25 ° C | (1) ACD | |
| Molar Solubility | 1.41 mol / L | pH 9;Kutentha: 25 ° C | (1) ACD | |
| Molar Solubility | 1.49 mol / L | pH 10;Kutentha: 25 ° C | (1) ACD | |
| Molar Solubility | 1.41 mol / L | Madzi Osasunthika pH 5.53;Kutentha: 25 ° C | (1) ACD | |
| Kulemera kwa Maselo | 263.25 | |||
| pKa | 11.20±0.20 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD | |
| pKa | -2.24±0.40 | Kutentha Kwambiri Kwambiri: 25 °C | (1) ACD | |
| Kuthamanga kwa Vapor | 1.29 x 10-20 | Torr | Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kuchulukana
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Kuchulukana | 1.50±0.1 g/cm3 | Kutentha: 20 ° C;Press: 760 Torr | (1) ACD |
| Molar Volume | 174.8±5.0cm3/mol | Kutentha: 20 ° C;Press: 760 Torr | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Ma Bond Osinthasintha Mwaulere | 2 | (1) ACD | |
| H Olandira | 6 | (1) ACD | |
| H Opereka | 1 | (1) ACD | |
| H Chiwerengero cha Wopereka / Wolandira | 7 | (1) ACD | |
| logP | -0.936±0.842 | Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 263.25 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Zogwirizana ndi Kapangidwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Malo a Polar Surface | 83.9 A2 | (1) ACD | |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kutentha
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Boiling Point | 666.6±55.0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy ya vaporization | 112.17±6.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Pophulikira | 357.0±31.5 °C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13C NMR
| Kodi | Chidziwitso Chowopsa | Gwero |
| H319 | Zimayambitsa kupsa mtima kwakukulu | Gulu la European Chemical Agency (ECHA) Classification&Labelling Inventory - Gulu lodziwitsidwa ndi zilembo - zidziwitso zodziwika bwino, Gulu la European Chemical Agency (ECHA) Gulu & Zolemba Zolemba - Gulu lodziwitsidwa ndi zilembo - zidziwitso zazikulu kwambiri |
| H302 | Zowopsa ngati zitamezedwa | Gulu la European Chemical Agency (ECHA) Classification&Labelling Inventory - Gulu lodziwitsidwa ndi zilembo - zidziwitso zodziwika bwino, Gulu la European Chemical Agency (ECHA) Gulu & Zolemba Zolemba - Gulu lodziwitsidwa ndi zilembo - zidziwitso zazikulu kwambiri |
Zachinsinsi Zabizinesi: Pagulu
| Mawu ofanana ndi malamulo | ||
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno(3,4-f)indolizine-3,6,10(4H)-trione | - | Chifalansa |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno[3,4-f]indolizine-3,6,10(4H)-trione | - | Chifalansa |
| (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Danish, German |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizine-3,6,10(4H)-trion | - | Chidatchi |
| (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Danish, German |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trion | - | Chidatchi |
| (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 | - | Portuguese, Spanish |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano[3,4-f]indolizina-3,6,10(4H)-triona | - | Portuguese, Spanish |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano(3,4-f)indolizin-3,6,10(4H)-trione | - | Chitaliyana |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano[3,4-f]indolizin-3,6,10(4H)-trione | - | Chitaliyana |
| (S) -4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Chiswidishi |
| (S) -4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Chiswidishi |
| (S) -4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano(3,4-f) indolitsiini-3,6,10(4H)-trioni | - | Chifinishi |
| (S) -4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano[3,4-f]indolitsiini-3,6,10(4H)-trioni | - | Chifinishi |
Tsatanetsatane ndi Country/International & Other Lists
Khodi Yamitengo Yogwirizana: 293499 Zambiri za Dziko/Chigawo Zilipo
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Khodi ya Customs ya EU CN : 29349990
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