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9-Hydroxycamptothecin

CAT: 0931-T4952-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T4952-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67656-30-8
Target
Topoisomerase
Related Pathways
DNA Damage/DNA Repair
Purity
0.9979
Bioactivity
9-Hydroxycampothecin is a camptothecin derivative with anticancer activity.
Smiles
CC[C@@]1(C(OCc(c1cc2n3Cc4c2nc(ccc(O)c5)c5c4)c3=O)=O)O
Molecular Formula
C20H16N2O5
Molecular Weight
364.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9-Hydroxycamptothecin
CAS Number67656-30-8
PubChem CID135403790
IUPAC Name(19S)-19-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
CC[C@@]1(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/t20-/m0/s1
InChIKey
LCZZWLIDINBPRC-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of 9-Hydroxycamptothecin
CAS: 67656-30-8
CID: 135403790
Formula: C20H16N2O5
MW: 364.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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