1. Introduction of Topotecan

The Topotecane with CAS registry number of 123948-87-8, has the systematic name is (4S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione. It belongs to product categories of APIs. This chemical is a light yellow needle crystal or crystalline powder and it can be used as anti-cancer drugs.

2. Properties of Topotecan

Physical properties about Topotecane are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 21.36; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 81.2Ų; (13)Index of Refraction: 1.733; (14)Molar Refractivity: 112.73 cm³; (15)Molar Volume: 281.3 cm³; (16)Polarizability: 44.69×10^-24cm³; (17)Surface Tension: 82.8 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 427.3 °C; (20)Enthalpy of Vaporization: 119.49 kJ/mol; (21)Boiling Point: 782.9 °C at 760 mmHg; (22)Vapour Pressure: 8.13E-26 mmHg at 25 °C

3. Structure Descriptors of Topotecan

You could convert the following datas into the molecular structure:
1). Canonical SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O
2). Isomeric SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O
3). InChI: InChI=1S/C23H23N3O5/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/t23-/m0/s1
4). InChIKey: UCFGDBYHRUNTLO-QHCPKHFHSA-N

4. Preparation of Topotecan

Preparation of Topotecane: it is prepared by reaction of 37% formaldehyde with 40% dimethylamine. Besides, The reaction needs reagent acetic acid.

5. Safety Information of Topotecan

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it has highly flammable and may causes severe burns. What's more, it is harmful by inhalation. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you feel unwell or accident happens seek medical advice immediately.