Namitecan
(19S)-10-[(E)-2-aminoethoxyiminomethyl]-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 Identity
Namitecan
(19S)-10-[(E)-2-aminoethoxyiminomethyl]-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
PubChem CID: 10950142
2D Structure
Properties
C23H22N4O5
Molecular Formula
434.40
Molecular Weight
g/mol
434.1590
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
127
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
899
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Namitecan372105-27-6ST-1968X34Z8N66T3st1968(4S)-11-((E)-((2-Aminoethoxy)imino)methyl)-4-ethyl-4-hydroxy-1,12-dihydro-14H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H)-dioneDTXSID90190707namitecanumRefChem:164490DTXCID90113198(19S)-10-((1E)-((2-aminoethoxy)imino)methyl)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo(11.8.0.0^(2,11).0^(4,9).0^(15,20))henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dioneNamitecan [INN]UNII-X34Z8N66T3(19S)-10-[(E)-2-aminoethoxyiminomethyl]-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-dioneST 1968
Data from PubChem (NCBI)
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