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11-Ethyl Camptothecin

CAT: 0024-sc-213584Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-213584Size:10 mg
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CAS Number
185807-29-8

Chemical Information

11-Ethyl Camptothecin
CAS Number185807-29-8
PubChem CID29979717
IUPAC Name(19S)-6,19-diethyl-19-hydroxy-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
Molecular FormulaC22H20N2O4
Molecular Weight376.4
XLogP1.8
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity787
SMILES
CCC1=CC2=NC3=C(CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)C=C2C=C1
InChI
InChI=1S/C22H20N2O4/c1-3-12-5-6-13-8-14-10-24-18(19(14)23-17(13)7-12)9-16-15(20(24)25)11-28-21(26)22(16,27)4-2/h5-9,27H,3-4,10-11H2,1-2H3/t22-/m0/s1
InChIKey
SGXXQRSXMWIURP-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of 11-Ethyl Camptothecin
CAS: 185807-29-8
CID: 29979717
Formula: C22H20N2O4
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass376.14230712
Monoisotopic Mass376.14230712
Topological Polar Surface Area79.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity787
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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