chempirical

Topotecan hydrochloride

C23H24ClN3O5CAS 119413-54-6457.91 g/mol

Open in Covalent MOL file
HOOONONOHNHCl
AlcoholEsterLactonePhenolTertiary amine

Properties

Molecular formula
C23H24ClN3O5
Molar mass
457.91 g/mol
Exact mass
457.1404 Da
Melting point
215 °C (decomposes)
logP
2.27Crippen estimate
Polar surface area
104.9 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
119413-54-6
SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl
InChIKey
DGHHQBMTXTWTJV-BQAIUKQQSA-N
InChI
InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-, hydrochloride (1:1), (4S)-
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-, monohydrochloride, (S)-
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-, monohydrochloride, (4S)-
  • SKF 104864A
  • NSC 609669
  • Hycamtin
  • SKFS 104864A
  • Nogitecan hydrochloride
  • Topotecan chlorohydrate
  • (S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3′,4′:6,7]indolizino[l,2-b]quinoline-3,14(4H,12H)-dione monohydrochloride
  • Xinze

Work with Topotecan hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Topotecan123948-87-896 % similar 9-Hydroxycamptothecin67656-30-873 % similar 9-Aminocamptothecin91421-43-165 % similar Hydroxycamptothecin19685-09-765 % similar 4-Ethyl-4,9-dihydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-B]quinoline-3,14(4H,12H)-dione64439-81-265 % similar 9-Methoxycamptothecin39026-92-165 % similar Sn-3886639-52-365 % similar Camptothecin7689-03-463 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook