Polpharma European CDMO Partner & API Manufacturer since 1951 Polpharma European CDMO Partner & API Manufacturer since 1951

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Also known as: 110351-94-5, (4s)-4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano[3,4-f]indolizine-3,6,10-trione, (4s)-4-ethyl-7,8-dihydro-4-hydroxy-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(4h)-trione, Mfcd09833229, Yz4s6c3gb5
Molecular Formula
C13H13NO5
Molecular Weight
263.25  g/mol
InChI Key
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
FDA UNII
YZ4S6C3GB5

1 2D Structure

S-trione

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione
2.1.2 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
2.1.3 InChI Key
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
2.1.4 Canonical SMILES
CCC1(C2=C(COC1=O)C(=O)N3CCC(=O)C3=C2)O
2.1.5 Isomeric SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CCC(=O)C3=C2)O
2.2 Other Identifiers
2.2.1 UNII
YZ4S6C3GB5
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 110351-94-5

2. (4s)-4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano[3,4-f]indolizine-3,6,10-trione

3. (4s)-4-ethyl-7,8-dihydro-4-hydroxy-1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione

4. (4s)-4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione

5. Mfcd09833229

6. Yz4s6c3gb5

7. Schembl614060

8. Dtxsid30436954

9. Cs-b1681

10. Ex-a4321

11. Akos005145923

12. 1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione, 4-ethyl-7,8-dihydro-4-hydroxy-, (4s)-

13. S10949

14. Ds-14808

15. (4s)-4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano[3,4-f]indolizine-3,6,10(4h)trione

16. (s)-4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano-[3,4-f]indolizine-3,6,10(4h)-trione

17. (s)-4-ethyl-7,8-dihydro-4-hydroxy-1h-pyrano-[3,4-f]indolizine-3,6,10(4h)-trione

18. 1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione,4-ethyl-7,8-dihydro-4-hydroxy-,(4s)-

19. 4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione, (s)-

20. (4s)-4-ethyl-4-hydroxy-1h,3h,4h,6h,7h,8h,10h-pyrano[3,4-f]indolizine-3,6,10-trione

21. (4s)-4alpha-ethyl-7,8-dihydro-4beta-hydroxy-1h-pyrano[3,4-f]indolizine-3,6,10(4h)-trione

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 263.25 g/mol
Molecular Formula C13H13NO5
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area83.9
Heavy Atom Count19
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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110351-94-5
S-trione
Hefei Hirisun Pharmatech Co., Ltd located in Hefei China, is a leading and developing Biotech enterprise,...
Hefei Hirisun Pharmatech Co., Ltd located in Hefei China, is a leading and developing Biotech enterprise, specialize in providing fine chemical, novel biochemical reagents and pharmaceutical intermediates. We always think globally and provide our products and services for pharmaceutical manufacturing enterprise, research as well as academic institutions at home and aboard. The company is launched by many well educated with professional experience in the field of biochemical, and build well cooperation relationship with many international enterprises. With the hope of advancing technology progress and improve the quality of human life.
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Flag China
Digital Content Digital Content
URL Supplier Web Content
110351-94-5
S-trione
Hefei Hirisun Pharmatech Co., Ltd located in Hefei China, is a leading and developing Biotech enterprise,...
Hefei Hirisun Pharmatech Co., Ltd located in Hefei China, is a leading and developing Biotech enterprise, specialize in providing fine chemical, novel biochemical reagents and pharmaceutical intermediates. We always think globally and provide our products and services for pharmaceutical manufacturing enterprise, research as well as academic institutions at home and aboard. The company is launched by many well educated with professional experience in the field of biochemical, and build well cooperation relationship with many international enterprises. With the hope of advancing technology progress and improve the quality of human life.
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