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Camptothecin

CAT: 0127-BUP16805-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16805-01Size:100 mg
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CAS Number
7689-03-4
Synonyms
NSC-100880, Campathecin, (S) - (+) -Camptothecin, CPT
Purity
=98%
Smiles
C(C)[C@]1(O)C2=C(C(=O)N3C(=C2)C=4C(C3)=CC=5C(N4)=CC=CC5)COC1=O

Chemical Information

Camptothecin

Camptothecin is a pyranoindolizinoquinoline that is pyrano[3',4':6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer). It has a role as an antineoplastic agent, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, a genotoxin and a plant metabolite. It is a delta-lactone, a quinoline alkaloid, a tertiary alcohol and a pyranoindolizinoquinoline.

CAS Number7689-03-4
PubChem CID24360
IUPAC Name(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Molecular FormulaC20H16N2O4
Molecular Weight348.4
XLogP1
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity742
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
InChI
InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
InChIKey
VSJKWCGYPAHWDS-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Camptothecin
CAS: 7689-03-4
CID: 24360
Formula: C20H16N2O4
MW: 348.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass348.11100700
Monoisotopic Mass348.11100700
Topological Polar Surface Area79.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity742
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

Alternative Products

CatalogName
MBS258054-01Camptothecin
abx182718-01(+)-Camptothecin

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