topotecan

(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-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

CAS: 123948-87-8

Molecular Formula	`C23H23N3O5`
Molecular Weight	421.4 g/mol
LogP	0.5
Topological Polar Surface Area	103.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	421.16376
Heavy Atoms	31
Complexity	867.0

Chemical Identifiers

CAS Number	123948-87-8
SMILES	`CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O`
InChIKey	`UCFGDBYHRUNTLO-QHCPKHFHSA-N`

📖 Product Overview

topotecan (CAS: 123948-87-8) is a chemical compound with molecular formula C23H23N3O5 and molecular weight 421.4 g/mol. Its IUPAC systematic name is (19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-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. LogP 0.5 Topological Polar Surface Area 103.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 3 Exact Mass 421.16376 Heavy Atoms 31 Complexity 867.0 InChI Key: UCFGDBYHRUNTLO-QHCPKHFHSA-N. SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O.

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