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Irinotecan EP Impurity G

CAT: 1596-AR-C01133-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01133-01Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
947687-01-6
Synonyms
(S) -4,8,11-triethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14 (4H,12H) -dione; (4S) -4,8,11-Triethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14 (4H,12H) -dione; Irinotecan USP Impurity G; 7,11-Diethyl-10-Hydroxy Camptothecin
Molecular Formula
C24H24N2O5
Molecular Weight
420.47
API Name
Camptothecin

Chemical Information

7,11-Diethyl-10-hydroxycamptothecin
CAS Number947687-01-6
PubChem CID58965011
IUPAC Name(19S)-6,10,19-triethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
Molecular FormulaC24H24N2O5
Molecular Weight420.5
XLogP2.2
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity866
SMILES
CCC1=CC2=C(C=C1O)C(=C3CN4C(=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)C3=N2)CC
InChI
InChI=1S/C24H24N2O5/c1-4-12-7-18-14(8-20(12)27)13(5-2)15-10-26-19(21(15)25-18)9-17-16(22(26)28)11-31-23(29)24(17,30)6-3/h7-9,27,30H,4-6,10-11H2,1-3H3/t24-/m0/s1
InChIKey
BQAJEBSARMNUPK-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of 7,11-Diethyl-10-hydroxycamptothecin
CAS: 947687-01-6
CID: 58965011
Formula: C24H24N2O5
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass420.16852187
Monoisotopic Mass420.16852187
Topological Polar Surface Area100 Ų
Heavy Atom Count31
Formal Charge0
Complexity866
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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