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10-Hydroxycamptothecin

CAT: 0926-FFA19492-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FFA19492-02Size:500 mg
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CAS Number
130194-92-2
Smiles
CC1=C (C (=CC=C1) C (=O) N2CCCCC2) Br
Molecular Formula
C20H16N2O5
Molecular Weight
364.4 g/mol
Controlled
No

Chemical Information

4-Ethyl-4,10-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

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CAS Number130194-92-2
PubChem CID135406264
IUPAC Name19-ethyl-8,19-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 FormulaC20H16N2O5
Molecular Weight364.4
XLogP0.6
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity774
SMILES
CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5O)N=C4C3=C2)O
InChI
InChI=1S/C20H16N2O5/c1-2-20(26)13-7-15-17-10(6-11-14(21-17)4-3-5-16(11)23)8-22(15)18(24)12(13)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3
InChIKey
LCZZWLIDINBPRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethyl-4,10-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
CAS: 130194-92-2
CID: 135406264
Formula: C20H16N2O5
MW: 364.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight364.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass364.10592162
Monoisotopic Mass364.10592162
Topological Polar Surface Area100 Ų
Heavy Atom Count27
Formal Charge0
Complexity774
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes