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7-Ethyl-10-Hydroxy Camptothecin-D5

CAT: 1299-RM-C162020-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C162020-01Size:10 mg
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CAS Number
718612-51-2
Synonyms
(S) -4-ethyl-11- (ethyl-d5) -4,9-dihydroxy-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14 (4H) -dione
Molecular Formula
C22H15D5N2O5
Molecular Weight
397.44
Target Alternative Name
Camptothecin
Product Name Synonym
(S) -4-ethyl-11- (ethyl-d5) -4,9-dihydroxy-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14 (4H) -dione

Chemical Information

7-Ethyl-10-Hydroxy Camptothecin-D5
CAS Number718612-51-2
PubChem CID129009750
IUPAC Name(19S)-19-ethyl-7,19-dihydroxy-10-(1,1,2,2,2-pentadeuterioethyl)-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 FormulaC22H20N2O5
Molecular Weight397.4
XLogP1.4
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity820
SMILES
[2H]C([2H])([2H])C([2H])([2H])C1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O
InChI
InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1/i1D3,3D2
InChIKey
FJHBVJOVLFPMQE-BOQQFKKFSA-N
Chemical Structure
2D Structure
2D structure of 7-Ethyl-10-Hydroxy Camptothecin-D5
CAS: 718612-51-2
CID: 129009750
Formula: C22H20N2O5
MW: 397.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass397.16860547
Monoisotopic Mass397.16860547
Topological Polar Surface Area100 Ų
Heavy Atom Count29
Formal Charge0
Complexity820
Isotope Atom Count5
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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