Elomotecan hydrochloride
(20R)-6-chloro-20-ethyl-20-hydroxy-7-methyl-10-[(4-methylpiperidin-1-yl)methyl]-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione;hydrochloride
Molecular Identity
Elomotecan hydrochloride
(20R)-6-chloro-20-ethyl-20-hydroxy-7-methyl-10-[(4-methylpiperidin-1-yl)methyl]-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione;hydrochloride
PubChem CID: 216300
2D Structure
Properties
C29H33Cl2N3O4
Molecular Formula
558.50
Molecular Weight
g/mol
557.1848
Exact Mass
Da
83
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: CCC1(CC(=O)OCC2=C1C=C3C4=NC5=C(C=C(C(=C5)Cl)C)C(=C4CN3C2=O)CN6CCC(CC6)C)O.ClIsomeric SMILES
SMILES: CC[C@]1(CC(=O)OCC2=C1C=C3C4=NC5=C(C=C(C(=C5)Cl)C)C(=C4CN3C2=O)CN6CCC(CC6)C)O.ClSynonyms(20)
ELOMOTECAN HYDROCHLORIDE220997-99-9Elomotecan (hydrochloride)BN 80927BN-809275WM1F45I4Y(20R)-6-chloro-20-ethyl-20-hydroxy-7-methyl-10-[(4-methylpiperidin-1-yl)methyl]-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione;hydrochloride3H,15H-Oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione,9-chloro-5-ethyl-1,4,5,13-tetrahydro-5-hydroxy-10-methyl-12-[(4-methyl-1-piperidinyl)methyl]-,hydrochloride (1:1), (5R)-(R)-9-Chloro-5-ethyl-5-hydroxy-10-methyl-12-((4-methylpiperidin-1-yl)methyl)-4,5-dihydrooxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15(1H,13H)-dione hydrochlorideUNII-5WM1F45I4Yorb1691133SCHEMBL5860079bn80927SCHEMBL29370585DTXSID60944734
Data from PubChem (NCBI)
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