chempirical

9-Nitrocamptothecin

C20H15N3O6CAS 91421-42-0393.36 g/mol

Open in Covalent MOL file
HOOONON+OO−N
AlcoholEsterLactoneNitro

Properties

Molecular formula
C20H15N3O6
Molar mass
393.36 g/mol
Exact mass
393.0961 Da
Melting point
182–186 °C
logP
1.99Crippen estimate
Polar surface area
124.6 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
91421-42-0
SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1
InChIKey
VHXNKPBCCMUMSW-FQEVSTJZSA-N
InChI
InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-10-nitro-, (4S)-
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-10-nitro-, (S)-
  • (4S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
  • 9-Nitro-20(S)-camptothecin
  • RFS 2000
  • Rubitecan
  • Orathecin

Work with 9-Nitrocamptothecin

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

9-Hydroxycamptothecin67656-30-876 % similar 9-Aminocamptothecin91421-43-175 % similar 9-Methoxycamptothecin39026-92-174 % similar Camptothecin7689-03-470 % similar 7-Ethylcamptothecin78287-27-165 % similar Topotecan123948-87-864 % similar Hydroxycamptothecin19685-09-763 % similar 4-Ethyl-4,9-dihydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-B]quinoline-3,14(4H,12H)-dione64439-81-263 % similar

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

Elsewhere

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