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20-O-Acetylcamptothecin

CAT: 0931-TN11540-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11540-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7688-64-4
Target
Topoisomerase
Related Pathways
DNA Damage/DNA Repair
Bioactivity
20-O-Acetylcamptothecin (O-Acetylcamptothecin) is a derivative of Camptothecin and acts as an inhibitor of Topoisomerase I.
Smiles
O(C(C)=O)[C@@]1(CC)C2=C(C(=O)N3C(=C2)C=4C(C3)=CC=5C(N4)=CC=CC5)COC1=O
Molecular Formula
C22H18N2O5
Molecular Weight
390.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

O-Acetylcamptothecin

camptothecin acetate has been reported in Nothapodytes nimmoniana and Camptotheca acuminata with data available.

CAS Number7688-64-4
PubChem CID9886692
IUPAC Name[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate
Molecular FormulaC22H18N2O5
Molecular Weight390.4
XLogP1.6
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity846
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)C
InChI
InChI=1S/C22H18N2O5/c1-3-22(29-12(2)25)16-9-18-19-14(8-13-6-4-5-7-17(13)23-19)10-24(18)20(26)15(16)11-28-21(22)27/h4-9H,3,10-11H2,1-2H3/t22-/m0/s1
InChIKey
ASVIEXKOXDCZDF-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of O-Acetylcamptothecin
CAS: 7688-64-4
CID: 9886692
Formula: C22H18N2O5
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass390.12157168
Monoisotopic Mass390.12157168
Topological Polar Surface Area85.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity846
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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