Avra Laboratories

S-trione

Chemistry, 12 End Use API, 13 Related Intermediates

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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 Formula	C₁₃H₁₃NO₅
Molecular Weight	263.25 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	83.9
Heavy Atom Count	19
Formal Charge	0
Complexity	574
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

110351-94-5

Intermediate Name

(S)-8-Ethyl-8-hydroxy-2,3,5,8-tetra...

About the Company

Avra Laboratories, part of Cohance Lifesciences, is one of the first companies in India to provide high-e...

Avra Laboratories, part of Cohance Lifesciences, is one of the first companies in India to provide high-end contract research and manufacturing of advanced intermediates and APIs, with expertise in oncology ADC payloads and other therapeutic areas. Avra Lab is the pioneer in the synthetic camptothecin chemistry, offering its APIs, ADC payloads and intermediates. Avra Lab is renowned for its custom synthesis services, particularly in the synthesis of complex chemicals for pharmaceutical applications. It excels in low-volume, high-value small molecule synthesis. Avra lab is also a leader in carbonylation and palladium cross-coupling chemistry.