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9-Methoxycamptothecin?

CAT: 0013-GTR19157902-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157902-01Size:100 mg
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Description
9-Methoxycamptothecin (MCPT) has antitumour activities through topoisomerase inhibition.
CAS Number
39026-92-1
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (264.28 mM)
Smiles
CC[C@@]1 (O) C (=O) OCc2c1cc1-c3nc4cccc (OC) c4cc3Cn1c2=O
Molecular Formula
C21H18N2O5
Molecular Weight
378.38
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(S) -4-ethyl-4-hydroxy-10-methoxy-112-dihydro-14H-pyrano[3'4':67]indolizino[12-b]quinoline-314 (4H) -dione

Chemical Information

9-Methoxycamptothecin

9-Methoxycamptothecin is a pyranoindolizinoquinoline.

CAS Number39026-92-1
PubChem CID123617
IUPAC Name(19S)-19-ethyl-19-hydroxy-8-methoxy-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 FormulaC21H18N2O5
Molecular Weight378.4
XLogP1
Topological Polar Surface Area89
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity790
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5OC)N=C4C3=C2)O
InChI
InChI=1S/C21H18N2O5/c1-3-21(26)14-8-16-18-11(7-12-15(22-18)5-4-6-17(12)27-2)9-23(16)19(24)13(14)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1
InChIKey
XVMZDZFTCKLZTF-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of 9-Methoxycamptothecin
CAS: 39026-92-1
CID: 123617
Formula: C21H18N2O5
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass378.12157168
Monoisotopic Mass378.12157168
Topological Polar Surface Area89 Ų
Heavy Atom Count28
Formal Charge0
Complexity790
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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