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Basic Information
CAS No.: 86639-63-6
Name: 9-amino-20-camptothecin
Article Data: 3
Molecular Structure:
Molecular Structure of 86639-63-6 (9-amino-20-camptothecin)
Formula: C20H17 N3 O4
Molecular Weight: 363.373
Synonyms: 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,9-amino-4-ethyl-4-hydroxy-, (S)-; 10-Aminocamptothecin
Density: 1.55g/cm3
Boiling Point: 825.9oC at 760 mmHg
Flash Point: 453.3oC
PSA: 107.44000
LogP: 2.24300
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Chemistry

Molecular Structure of 10-Aminocamptothecin (CAS NO.86639-63-6):

Systematic Name: (4S)-9-Amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione 
Molecular Formula: C20H17N3O4
Molecular Weight: 363.37 
XLogP3-AA: 0.3
H-Bond Donor: 2
H-Bond Acceptor: 6 
Index of Refraction: 1.771
Molar Refractivity: 97.06 cm3
Molar Volume: 233.2 cm3
Surface Tension: 89.1 dyne/cm
Density: 1.55 g/cm3
Flash Point: 453.3 °C
Enthalpy of Vaporization: 125.83 kJ/mol
Boiling Point: 825.9 °C at 760 mmHg
Vapour Pressure: 6.86E-29 mmHg at 25 °C
Classification Code: Antineoplastic Agents 
Canonical SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)O
Isomeric SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)O
InChI: InChI=1S/C20H17N3O4/c1-2-20(26)14-7-16-17-11(5-10-6-12(21)3-4-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1
InChIKey: MVUUMBZAHAKPKQ-FQEVSTJZSA-N

Specification

 10-Aminocamptothecin (CAS NO.86639-63-6), its Synonyms are (4S)-9-Amino-4-ethyl-4-hydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione ; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 9-amino-4-ethyl-4-hydroxy-, (S)- ; Camptothecin, 10-amino- .