9-Aminocamptothecin

• CAS: 91421-43-1
• Catalog Number: ACM91421431
• Category: Inhibitors
• Molecular Weight: 363.37
• Molecular Formula: C20H17N3O4
• Description: 9-Aminocamptothecin (9-Amino-CPT) is a topoisomerase I inhibitor with potent anticancer activity.
• Synonyms: 9-Amino-20-(S)-camptothecin
• IUPAC Name: (19S)-8-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
• Canonical SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O
• InChI: InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1
• InChI Key: FUXVKZWTXQUGMW-FQEVSTJZSA-N
• Boiling Point: 819.6±65.0 °C
• Melting Point: 142-145 °C
• Density: 1.55±0.1 g/ml
• Appearance: Powder
• Complexity: 775
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Exact Mass: 363.12190603
• Heavy Atom Count: 27
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O
• Monoisotopic Mass: 363.12190603
• Physical State: Solid
• pKa: 11.23±0.20
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 106 Ų