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Chemical structure of SN-38-d3

GC64465

SN-38-d3

Also known as (19S)-19-ethyl-7,19-dihydroxy-10-(2,2,2-trideuterioethyl)-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

SN-38-d3 is the deuterium labeled SN-38· SN-38 (NK012) is an active metabolite of the Topoisomerase I inhibitor Irinotecan· SN-38 (NK012) inhibits DNA and RNA synthesis with IC50s of 0·077 and 1·3 μM, respectively

ChemicalCAS718612-49-8MW395.42FormulaC22H17D3N2O5
CAS number
718612-49-8
Molecular weight
395.42
Formula
C22H17D3N2O5
InChIKey
FJHBVJOVLFPMQE-MVTYLIICSA-N
Catalogue number
GC64465
Brand
GLPBIO
Computed properties PubChem CID 71434326 · XLogP 1.4 · TPSA 100 Ų · H-bond donors 2
XLogP
1.4
TPSA
100 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
29

SMILES [2H]C([2H])([2H])CC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O

Computed descriptors from PubChem (CID 71434326), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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