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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

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1 2D Structure

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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

BUILDING BLOCK

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Virtual BoothCohance Lifesciences, offers full range of CDMO services for small molecule APIs, intermediates, ADCs, Pellets and Formulations.

(S)-8-Ethyl-8-hydroxy-2,3,5,8-tetrahydro-6-oxa-3a-...

CAS Number : 110351-94-5

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About the Company : Cohance Lifesciences is a leading CDMO and API platform, offering products and services across all phases of a molecule’s lifecycle from development to commercialzation. With our expe...

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CAS Number : 110351-94-5

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About the Company : Hangzhou Hairui Chemical Co., Ltd. is located in the Zhongheng Century Science and Technology Park in Hangzhou, Zhejiang. It is an excellent manufacturer of organic compounds with a wid...

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CAS Number : 110351-94-5

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About the Company : Established in 2011 and situated in Hangzhou, Zhejiang, China, Hangzhou Longshine Bio-Tech CO., Ltd is dedicated to providing services for pharmaceutical and chemical products, catering...

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Harvechem

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CAS Number : 110351-94-5

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About the Company : Founded in 2006, Harvechem adheres to the philosophy of ”Think for Customer” all along, devotes to providing global customers with professional and seamless service in the field of ...

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CAS Number : 110351-94-5

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About the Company : 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 pharmaceu...

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CAS Number : 110351-94-5

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About the Company : Gruechem, established in 2011, is dedicated to the custom synthesis, and custom-manufacturing of building blocks, core skeletons, and molecular frameworks, which are mainly applied in t...

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