Indotecan
15,16-dimethoxy-20-(3-morpholin-4-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
Molecular Identity
Indotecan
15,16-dimethoxy-20-(3-morpholin-4-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
PubChem CID: 11533060
2D Structure
Properties
C26H26N2O7
Molecular Formula
478.50
Molecular Weight
g/mol
478.1740
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
86.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
872
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCOCC6)OCIsomeric SMILES
SMILES: COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCOCC6)OCSynonyms(20)
INDOTECAN915303-09-2NSC-724998BTA69L5M8DNSC724998DTXSID902386135H-(1,3)DIOXOLO(4',5':5,6)INDENO(1,2-C)ISOQUINOLINE-5,12(6H)-DIONE, 2,3-DIMETHOXY-6-(3-(4-MORPHOLINYL)PROPYL)-RefChem:791000DTXCID40161104UNII-BTA69L5M8DLMP-400Indotecan(LMP400)2,3-dimethoxy-6-(3-morpholinopropyl)-5H-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dioneLMP400MFCD25977124
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Indotecan
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