AG00IBD6

64439-81-2 | 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4,9-dihydroxy-, (±)-

AG00IBD6

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CAS Number	64439-81-2
Catalog Number	AG00IBD6(AGN-PC-0TCKAT)
Chemical Name	1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4,9-dihydroxy-, (±)-
IUPAC Name	19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
InChI	InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3
InChI Key	HAWSQZCWOQZXHI-UHFFFAOYSA-N
MDL Number	MFCD00189425
Molecular Formula	C20H16N2O5
Molecular Weight	364.3514
SMILES	O=C1C(O)(CC)C2=C(CO1)C(N3CC4=CC5=CC(O)=CC=C5N=C4C3=C2)=O
Synonyms	10-hydroxycamptothecin, 10-hydroxycamptothecine, 10-Hydroxycamptothecin, 64439-81-2, ( inverted exclamation markA)-10-Hydroxycamptothecin, (+/-)-10-Hydroxycamptothecin, Hydroxy camptothecine, hydroxy-camptothecine, PubChem13091, AC1N7NVD, Neuro_000051, CHEMBL90124, SCHEMBL9384413, (+/-)-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLINE-3,14(4H,12H)-DIONE, BCP10548, HY-N0275, CH0081, AKOS015901897, EBD2201338, INB0000290, KS-0000110L, 4CN-3136, AK325971, SY010687, TL8000524, CS-0008775, N1591, MFCD02093100 (97+%), I14-1454, S06-0011, (+/-)-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3,4:6,7]INDOLIZINO[1,2-B]QUINOLINE-3,14(4H,12H)-DIONE, (S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3 inverted exclamation mark ,4 inverted exclamation mark :6,7]indolizino[1,2-b]quinoline-3,14-(4H,12H)-dione, 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4,9-dihydroxy-, Hydroxycamptothecine, (S)-10-Hydroxycamptothecin, 10-Hydroxycamptothecin acetate, 7-Ethyl-10-hydroxycamptothecin, CID4330531, 19685-09-7,

Complexity	774
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	364.106g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	364.357g/mol
Monoisotopic Mass	364.106g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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