![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hidroksi-, (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- hidroksi-, (4S)- (9CI, ACI) H319, Picha Iliyoangaziwa ya 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- hidroksi-, (4S)- (9CI, ACI) H319, H302
| Sifa Muhimu za Kimwili | Thamani | Hali |
| Uzito wa Masi | 263.25 | - |
| Kiwango Myeyuko (Majaribio) | 177.1-178.3 °C | - |
| Kiwango cha Kuchemka (Iliyotabiriwa) | 666.6±55.0 °C | Bonyeza: 760 Torr |
| Msongamano (Uliotabiriwa) | 1.50±0.1 g/cm3 | Joto: 20 ° C;Bonyeza: 760 Torr |
| pKa (Iliyotabiriwa) | 11.20±0.20 | Halijoto ya Asidi Zaidi: 25 °C |
TABASAMU za Kisheria O=C1C2=C(C=C3C(=O)CCN13)C(O)(C(=O)OC2)CC
Isomeriki TABASAMU 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
Ufunguo wa InChi
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
5 Majina Mengine ya Dawa hii
(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-
haidroksi-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
| Mali zinazopatikana |
| Macho na Kutawanya |
| Joto |
Macho na Kutawanya
| Mali | Thamani | Hali | Chanzo |
| Nguvu ya Kuzunguka ya Macho | +120.6 deg | c: 0.62 g/100mL;Kutengenezea: Chloroform | (1) IC |
| Nguvu ya Kuzunguka ya Macho | +120.57 deg | c: 0.62 g/100mL;Kutengenezea: Chloroform;Joto: 20 °C | (2) IC |
| Nguvu ya Kuzunguka ya Macho | +119.57 deg | c: 1.0 g/100mL;Kutengenezea: Chloroform;λ: 589.3 nm;Joto: 25 °C | (3) CAS |
| Nguvu ya Kuzunguka ya Macho | +119.57 digrii·mL/g·dm | c: 1.0 g/100mL;Kutengenezea: Chloroform;λ: mstari wa sodiamu D;Joto: 25 °C | (4) CAS |
| Nguvu ya Kuzunguka ya Macho | +117.6 deg | c: 0.56 g/100mL;Kutengenezea: Chloroform;Joto: 23 °C | (5) IC |
| Nguvu ya Kuzunguka ya Macho | +116.14 digrii·mL/g·dm | c: 1.0 g/100mL;Kutengenezea: Chloroform;λ: mstari wa sodiamu D;Joto: 26 °C | (4) CAS |
| Nguvu ya Kuzunguka ya Macho | +96 deg | c: 0.40 g/100mL;Joto: 21 °C | (6) IC |
| Nguvu ya Kuzunguka ya Macho | +77.8 deg | c: 0.62 g/100mL;Kutengenezea: Chloroform;λ: 589.3 nm;Joto: 25 °C | (7) CAS |
(1) Terasawa, Hirofumi;Bulletin ya Kemikali na Dawa, (1989), 37(12), 3382-5, CAplus
(2) Tagawa, Hiroaki;EP220601, A1, 1987, CAPlus
(3) Henegar, Kevin E.;Jarida la Kemia hai, (1997), 62(19), 6588-6597, CAplus
(4) Watanabe, Tatsuya;Kemia - Jarida la Asia, (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.;Jarida la Kemia ya Dawa, (1987), 30 (12), 2317-19, CAplus
(7) Kuang, Yun-Yan;Helvetica Chimica Acta, (2010), 93(10), 2094-2099, CAplus
Joto
| Mali | Thamani | Hali | Chanzo | |
| Kiwango cha kuyeyuka | 183-185 °C (kuharibika) | (1) CAS | ||
| Kiwango cha kuyeyuka | 177.1-178.3 °C | (2) CAS | ||
| Kiwango cha kuyeyuka | 176-177 °C (kuharibika) | (3) IC | ||
| Kiwango cha kuyeyuka | 169-170 °C | Viyeyusho: | Acetate ya ethyl | (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.;Jarida la Kemia ya Dawa, (1987), 30 (12), 2317-19, CAplus
Spectra inapatikana
1H NMR
Misa
| Mali zinazopatikana |
| Kibiolojia |
| Kemikali |
| Msongamano |
| Lipinski |
| Kuhusiana na Muundo |
| Joto |
Kibiolojia
| Mali | Thamani | Hali | Chanzo |
| Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 1;Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 2;Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 3;Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 4;Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 5;Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 6;Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 7;Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 8;Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 9;Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 10;Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kemikali
| Mali | Thamani | Hali | Chanzo |
| Koc | 7.37 | pH 1;Joto: 25 °C | (1) ACD |
| Koc | 7.37 | pH 2;Joto: 25 °C | (1) ACD |
| Koc | 7.37 | pH 3;Joto: 25 °C | (1) ACD |
| Koc | 7.37 | pH 4;Joto: 25 °C | (1) ACD |
| Koc | 7.37 | pH 5;Joto: 25 °C | (1) ACD |
| Koc | 7.37 | pH 6;Joto: 25 °C | (1) ACD |
| Koc | 7.37 | pH 7;Joto: 25 °C | (1) ACD |
| Mali | Thamani | Hali | Chanzo |
| Koc | 7.37 | pH 8;Joto: 25 °C | (1) ACD |
| Koc | 7.33 | pH 9;Joto: 25 °C | (1) ACD |
| Koc | 6.94 | pH 10;Joto: 25 °C | (1) ACD |
| logD | -0.94 | pH 1;Joto: 25 °C | (1) ACD |
| logD | -0.94 | pH 2;Joto: 25 °C | (1) ACD |
| logD | -0.94 | pH 3;Joto: 25 °C | (1) ACD |
| logD | -0.94 | pH 4;Joto: 25 °C | (1) ACD |
| logD | -0.94 | pH 5;Joto: 25 °C | (1) ACD |
| logD | -0.94 | pH 6;Joto: 25 °C | (1) ACD |
| logD | -0.94 | pH 7;Joto: 25 °C | (1) ACD |
| logD | -0.94 | pH 8;Joto: 25 °C | (1) ACD |
| logD | -0.94 | pH 9;Joto: 25 °C | (1) ACD |
| logD | -0.96 | pH 10;Joto: 25 °C | (1) ACD |
| logP | -0.936±0.842 | Joto: 25 °C | (1) ACD |
| Umumunyifu wa Ndani wa Misa | 371 g/L | Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 371 g/L | pH 1;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 371 g/L | pH 2;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 371 g/L | pH 3;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 371 g/L | pH 4;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 371 g/L | pH 5;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 371 g/L | pH 6;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 371 g/L | pH 7;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 371 g/L | pH 8;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 371 g/L | pH 9;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 392 g/L | pH 10;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 371 g/L | Maji yasio na buffered pH 5.53;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Ndani wa Molar | 1.41 mol/L | Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.41 mol/L | pH 1;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.41 mol/L | pH 2;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.41 mol/L | pH 3;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.41 mol/L | pH 4;Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.41 mol/L | pH 5;Joto: 25 °C | (1) ACD |
| Mali | Thamani | Hali | Chanzo | |
| Umumunyifu wa Molar | 1.41 mol/L | pH 6;Joto: 25 °C | (1) ACD | |
| Umumunyifu wa Molar | 1.41 mol/L | pH 7;Joto: 25 °C | (1) ACD | |
| Umumunyifu wa Molar | 1.41 mol/L | pH 8;Joto: 25 °C | (1) ACD | |
| Umumunyifu wa Molar | 1.41 mol/L | pH 9;Joto: 25 °C | (1) ACD | |
| Umumunyifu wa Molar | 1.49 mol/L | pH 10;Joto: 25 °C | (1) ACD | |
| Umumunyifu wa Molar | 1.41 mol/L | Maji yasio na buffered pH 5.53;Joto: 25 °C | (1) ACD | |
| Uzito wa Masi | 263.25 | |||
| pKa | 11.20±0.20 | Halijoto ya Asidi Zaidi: 25 °C | (1) ACD | |
| pKa | -2.24±0.40 | Joto la Msingi Zaidi: 25 °C | (1) ACD | |
| Shinikizo la Mvuke | 1.29 x 10-20 | Torr | Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Msongamano
| Mali | Thamani | Hali | Chanzo |
| Msongamano | 1.50±0.1 g/cm3 | Joto: 20 ° C;Bonyeza: 760 Torr | (1) ACD |
| Kiasi cha Molar | 174.8±5.0 cm3/mol | Joto: 20 ° C;Bonyeza: 760 Torr | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Mali | Thamani | Hali | Chanzo |
| Vifungo vinavyoweza kuzungushwa kwa Uhuru | 2 | (1) ACD | |
| H Wakubali | 6 | (1) ACD | |
| H Wafadhili | 1 | (1) ACD | |
| H Jumla ya Mfadhili/Mpokeaji | 7 | (1) ACD | |
| logP | -0.936±0.842 | Joto: 25 °C | (1) ACD |
| Uzito wa Masi | 263.25 |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kuhusiana na Muundo
| Mali | Thamani | Hali | Chanzo |
| Eneo la Uso wa Polar | 83.9 A2 | (1) ACD | |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Joto
| Mali | Thamani | Hali | Chanzo |
| Kuchemka | 666.6±55.0 °C | Bonyeza: 760 Torr | (1) ACD |
| Enthalpy ya vaporization | 112.17±6.0 kJ/mol | Bonyeza: 760 Torr | (1) ACD |
| Kiwango cha Kiwango | 357.0±31.5 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Spectra inapatikana
1H NMR
13C NMR
| Kanuni | Taarifa ya Hatari | Chanzo |
| H319 | Husababisha muwasho mkubwa wa macho | Uainishaji na Malipo ya Wakala wa Kemikali wa Ulaya (ECHA) - Uainishaji ulioarifiwa na uwekaji lebo - arifa zinazojulikana zaidi, Uainishaji wa Wakala wa Kemikali wa Ulaya (ECHA) & Orodha ya Kuweka Lebo - Uainishaji ulioarifiwa na uwekaji lebo - arifa muhimu zaidi. |
| H302 | Inadhuru ikiwa imemeza | Uainishaji na Malipo ya Wakala wa Kemikali wa Ulaya (ECHA) - Uainishaji ulioarifiwa na uwekaji lebo - arifa zinazojulikana zaidi, Uainishaji wa Wakala wa Kemikali wa Ulaya (ECHA) & Orodha ya Kuweka Lebo - Uainishaji ulioarifiwa na uwekaji lebo - arifa muhimu zaidi. |
Taarifa za Siri za Biashara: Umma
| Visawe vya Udhibiti | ||
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno(3,4-f)indolizine-3,6,10(4H)-trione | - | Kifaransa |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno[3,4-f]indolizine-3,6,10(4H)-trione | - | Kifaransa |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Kideni, Kijerumani |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizine-3,6,10(4H)-trion | - | Kiholanzi |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Kideni, Kijerumani |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trion | - | Kiholanzi |
| (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 | - | Kireno, Kihispania |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano[3,4-f]indolizina-3,6,10(4H)-triona | - | Kireno, Kihispania |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano(3,4-f)indolizin-3,6,10(4H)-trione | - | Kiitaliano |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano[3,4-f]indolizin-3,6,10(4H)-trione | - | Kiitaliano |
| (S)-4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Kiswidi |
| (S)-4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Kiswidi |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano(3,4-f)indolitsiini-3,6,10(4H)-trioni | - | Kifini |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano[3,4-f]indolitsiini-3,6,10(4H)-trioni | - | Kifini |
Maelezo kwa Nchi/Kimataifa na Orodha Zingine
Msimbo wa Ushuru Uliooanishwa: 293499 Taarifa ya Nchi/Mkoa Inapatikana
Muhtasari wa Umoja wa Ulaya
Bendera za EU
Msimbo wa Forodha wa EU CN : 29349990
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