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Basic Information
CAS No.: 86639-62-5
Name: 9-Nitrocamptothecin
Article Data: 2
Molecular Structure:
Molecular Structure of 86639-62-5 (9-Nitrocamptothecin)
Formula: C20H15 N3 O6
Molecular Weight: 393.356
Synonyms: 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-9-nitro-, (S)-; 10-Nitrocamptothecin
Density: 1.63±0.1 g/cm3(Predicted)
Boiling Point: 827.4±65.0 °C(Predicted)
PSA: 127.24000
LogP: 2.51100
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  • 10-Nitrocamptothecin

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    86639-62-5

    10-Nitrocamptothecin

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  • 9-Nitrocamptothecin

  • Casno:

    86639-62-5

    9-Nitrocamptothecin

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Chemistry

Molecular Formula: C20H15N3O6
Molar mass: 393.3496 g/mol
Density: 1.63 g/cm3
Flash Point: 447.5 °C
Index of Refraction: 1.761
Boiling Point: 816.3 °C at 760 mmHg
Vapour Pressure: 3.53E-28 mmHg at 25°C
Structure of 9-Nitrocamptothecin (86639-62-5):
                       
XLogP3-AA: 0.8
H-Bond Donor: 1 
H-Bond Acceptor: 7
Canonical SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC=C(C5=C4)[N+](=O)[O-])O
Isomeric SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC=C(C5=C4)[N+](=O)[O-])O
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 
InChIKey: VHXNKPBCCMUMSW-FQEVSTJZSA-N
Product categories of 9-Nitrocamptothecin (86639-62-5): Derivatives

Specification

 9-Nitrocamptothecin (86639-62-5) is pharmaceutical material which also can be called for Camptogen ; Rubitecan ;and (4S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione . And, 9-Nitrocamptothecin (86639-62-5) can be used for natural anti-cancer medical materials.