AG00388O

110351-94-5 | (4S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione

AG00388O

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CAS Number	110351-94-5
Catalog Number	AG00388O(AGN-PC-0P0JUK)
Chemical Name	(4S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione
IUPAC Name	(4S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione
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
MDL Number	MFCD09833229
Molecular Formula	C13H13NO5
Molecular Weight	263.2460
SMILES	C(C)[C@]1(C(OCC=2C(N3CCC(C3=CC21)=O)=O)=O)O
Synonyms	110351-94-5, (S)-4-ETHYL-4-HYDROXY-7,8-DIHYDRO-1H-PYRANO[3,4-F]INDOLIZINE-3,6,10(4H)-TRIONE, (4S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione, AK-55464, (4S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione, (4S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione, IGKWOGMVAOYVSJ-ZDUSSCGKSA-N, SCHEMBL614060, (S)-4-hydroxy-4-propyl-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3, CTK4A6861, DTXSID30436954, 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione,4-ethyl-7,8-dihydro-4-hydroxy-, (4S)-, BCP01601, CS-B1681, KS-00000LP1, ZINC1616399, ANW-72103, MFCD17011873, AKOS005145923, AJ-28300, BC226121, DS-14808, AX8049037, TC-160848, FT-0668244, (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano-[3,4-f]indolizine-3,6,10(4H)-trione, (S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano-[3,4-f]indolizine-3,6,10(4H)-trione, (S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione,4-ethyl-7,8-dihydro-4-hydroxy-,(4S)-, (4S)-4-ETHYL-4-HYDROXY-1H,3H,4H,6H,7H,8H,10H-PYRANO[3,4-F]INDOLIZINE-3,6,10-TRIONE, (4S)-4alpha-Ethyl-7,8-dihydro-4beta-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione, NSC621459, ACN-032383, CID10220900, 8-Ethyl-8-hydroxy-2,3,5,8-tetrahydr, A2179, (S)-4-hydroxy-4-propyl-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione, (S)-4-Hydroxy-4-propyl-7,8-dihydro-1H-pyrano-[3,4-f]indolizine-3,6,10(4H)-trione, 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4-hydroxy-, (4S)-,

Complexity	574
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	263.079g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	263.249g/mol
Monoisotopic Mass	263.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number