![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-etil-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-etil-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302 Sary nasongadina](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-etil-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 263.25 | - |
| Teboka fandrehitra (andrana) | 177.1-178.3 °C | - |
| Teboka mangotraka (voavinavina) | 666,6±55,0 °C | Press: 760 Torr |
| Density (voavinavina) | 1,50±0,1 g/cm3 | Mafana: 20 °C;Press: 760 Torr |
| pKa (voavinavina) | 11.20±0.20 | Mafana asidra indrindra: 25 °C |
SMILES Canonical O=C1C2=C(C=C3C(=O)CCN13)C(O)(C(=O)OC2)CC
SMILES Isomerik 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 Anarana hafa ho an'ity akora ity
(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- etil-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
| Properties misy |
| Optical sy Scattering |
| mafana |
Optical sy Scattering
| NY FANANANA | sarobidy | toe-javatra | Source |
| Herin'ny Rotatory Optical | +120,6 deg | c: 0,62 g/100mL;Solvent: chloroform | (1) IC |
| Herin'ny Rotatory Optical | +120,57 deg | c: 0,62 g/100mL;Solvent: Chloroform;Mafana: 20 °C | (2) IC |
| Herin'ny Rotatory Optical | +119,57 deg | c: 1,0 g/100mL;Solvent: Chloroform;λ: 589,3 nm;Mafana: 25 °C | (3) CAS |
| Herin'ny Rotatory Optical | +119,57 degre mL/gdm | c: 1,0 g/100mL;Solvent: Chloroform;λ: Sodium D tsipika;Mafana: 25 °C | (4) CAS |
| Herin'ny Rotatory Optical | +117,6 deg | c: 0,56 g/100mL;Solvent: Chloroform;Mafana: 23 °C | (5) IC |
| Herin'ny Rotatory Optical | +116,14 degre mL/gdm | c: 1,0 g/100mL;Solvent: Chloroform;λ: Sodium D tsipika;Mafana: 26 °C | (4) CAS |
| Herin'ny Rotatory Optical | +96 deg | c: 0,40 g/100mL;Mafana: 21 °C | (6) IC |
| Herin'ny Rotatory Optical | +77,8 deg | c: 0,62 g/100mL;Solvent: Chloroform;λ: 589,3 nm;Mafana: 25 °C | (7) CAS |
(1) Terasawa, Hirofumi;Bulletin Chemical & Pharmaceutical, (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
mafana
| NY FANANANA | sarobidy | toe-javatra | Source | |
| Teboka mitsonika | 183-185 °C (mihena) | (1) CAS | ||
| Teboka mitsonika | 177.1-178.3 °C | (2) CAS | ||
| Teboka mitsonika | 176-177 °C (fanimbana) | (3) IC | ||
| Teboka mitsonika | 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 misy
1H NMR
-bahoaka
| Properties misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Structure Related |
| mafana |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 1.0 | pH 1;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10;Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
simika
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 7.37 | pH 1;Mafana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 2;Mafana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 3;Mafana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 4;Mafana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 5;Mafana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 6;Mafana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 7;Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 7.37 | pH 8;Mafana: 25 °C | (1) ACD |
| Koc | 7.33 | pH 9;Mafana: 25 °C | (1) ACD |
| Koc | 6.94 | pH 10;Mafana: 25 °C | (1) ACD |
| logD | -0.94 | pH 1;Mafana: 25 °C | (1) ACD |
| logD | -0.94 | pH 2;Mafana: 25 °C | (1) ACD |
| logD | -0.94 | pH 3;Mafana: 25 °C | (1) ACD |
| logD | -0.94 | pH 4;Mafana: 25 °C | (1) ACD |
| logD | -0.94 | pH 5;Mafana: 25 °C | (1) ACD |
| logD | -0.94 | pH 6;Mafana: 25 °C | (1) ACD |
| logD | -0.94 | pH 7;Mafana: 25 °C | (1) ACD |
| logD | -0.94 | pH 8;Mafana: 25 °C | (1) ACD |
| logD | -0.94 | pH 9;Mafana: 25 °C | (1) ACD |
| logD | -0.96 | pH 10;Mafana: 25 °C | (1) ACD |
| logP | -0,936±0,842 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 371 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 1;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 2;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 3;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 4;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 5;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 6;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 7;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 8;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | pH 9;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 392 g/L | pH 10;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 371 g/L | Rano tsy voaaro pH 5.53;Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 1,41 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,41 mol/L | pH 1;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,41 mol/L | pH 2;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,41 mol/L | pH 3;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,41 mol/L | pH 4;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,41 mol/L | pH 5;Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source | |
| Molar Solubility | 1,41 mol/L | pH 6;Mafana: 25 °C | (1) ACD | |
| Molar Solubility | 1,41 mol/L | pH 7;Mafana: 25 °C | (1) ACD | |
| Molar Solubility | 1,41 mol/L | pH 8;Mafana: 25 °C | (1) ACD | |
| Molar Solubility | 1,41 mol/L | pH 9;Mafana: 25 °C | (1) ACD | |
| Molar Solubility | 1,49 mol/L | pH 10;Mafana: 25 °C | (1) ACD | |
| Molar Solubility | 1,41 mol/L | Rano tsy voaaro pH 5.53;Mafana: 25 °C | (1) ACD | |
| Lanja molekiola | 263.25 | |||
| pKa | 11.20±0.20 | Mafana asidra indrindra: 25 °C | (1) ACD | |
| pKa | -2.24±0.40 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD | |
| Fanerena ny etona | 1.29 x 10-20 | Torr | Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
hakitroky
| NY FANANANA | sarobidy | toe-javatra | Source |
| hakitroky | 1,50±0,1 g/cm3 | Mafana: 20 °C;Press: 760 Torr | (1) ACD |
| Boky molar | 174.8±5.0 cm3/mol | Mafana: 20 °C;Press: 760 Torr | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| NY FANANANA | sarobidy | toe-javatra | Source |
| Fatorana azo ahodina malalaka | 2 | (1) ACD | |
| H Acceptors | 6 | (1) ACD | |
| H Mpanome | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 7 | (1) ACD | |
| logP | -0,936±0,842 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 263.25 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Structure Related
| NY FANANANA | sarobidy | toe-javatra | Source |
| Faritra ambonin'ny polar | 83.9 A2 | (1) ACD | |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
mafana
| NY FANANANA | sarobidy | toe-javatra | Source |
| Teboka mangotraka | 666,6±55,0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy de evaporation | 112.17±6.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash point | 357.0±31.5 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1H NMR
13C NMR
| fehezan-dalàna | Fanambarana loza | Source |
| H319 | Miteraka fahasorenana mafy ny maso | Fanasokajiana sy fametahana marika - Fanasokajiana sy fametahana fampandrenesana - Fampandrenesana mahazatra indrindra, Fanasokajiana sy fametahana marika - Fampandrenesana lehibe indrindra. |
| H302 | Manimba raha atelina | Fanasokajiana sy fametahana marika - Fanasokajiana sy fametahana fampandrenesana - Fampandrenesana mahazatra indrindra, Fanasokajiana sy fametahana marika - Fampandrenesana lehibe indrindra. |
Fampahafantarana momba ny raharaham-barotra tsiambaratelo: Ampahibemaso
| Regulatory Synonyms | ||
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno(3,4-f)indolizine-3,6,10(4H)-trione | - | FRANTSAY |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno[3,4-f]indolizine-3,6,10(4H)-trione | - | FRANTSAY |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Danoà, Alemana |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizine-3,6,10(4H)-trion | - | Anarana iombonana |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Danoà, Alemana |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trion | - | Anarana iombonana |
| (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 | - | Portiogey, Espaniola |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano[3,4-f]indolizina-3,6,10(4H)-triona | - | Portiogey, Espaniola |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano(3,4-f)indolizin-3,6,10(4H)-trione | - | ITALIANINA |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano[3,4-f]indolizin-3,6,10(4H)-trione | - | ITALIANINA |
| (S)-4-etil-4-hydroxi-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Anarana |
| (S)-4-etil-4-hydroxi-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Anarana |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano(3,4-f)indolitsiini-3,6,10(4H)-trioni | - | Anarana |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano[3,4-f]indolitsiini-3,6,10(4H)-trioni | - | Anarana |
Details avy amin'ny firenena/Iraisam-pirenena & Lisitra hafa
Kaody sarany mirindra: 293499 misy fampahalalana momba ny firenena/faritra
Famintinana ny Vondrona Eoropeana
EU Flags
EU Codes Code CN : 29349990
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