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86639-52-3

Basic Information
CAS No.: 86639-52-3
Name: 7-Ethyl-10-hydroxycamptothecin
Molecular Structure:
Molecular Structure of 86639-52-3 (7-Ethyl-10-hydroxycamptothecin)
Formula: C22H20N2O5
Molecular Weight: 392.40
Synonyms: (4S)-4,11-Diethyl-4,9-dihydroxy-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,4,11-diethyl-4,9- dihydroxy-,(4S)-;Captothecin, 7-ethyl-10-hydroxy-;1H-Pyrano(3,4:6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,7-diethyl-4,10-dihydroxy-;7-Ethyl-10-hydroxy-camptothecin;7-Ethyl-10-Hydroxycamptothecin (SN-38);7-Ethyl-10-Hydroxy CPT;7-Ethyl-10-Hydroxy Camptothecine;7-Ethyl-10-hydroxycamptothecin (TECANS);7-Ethyl-10-hydroxycamptothecin (SN38);7-Ethyl-10- Hydroxycamptothecin;7-Ehthy-10-Hydroxycamptothecin;7-etyl-10-hydroxycamptothecin;7-Ethyl-10-hydroxy-camptothecine;7-ethyl-Hydroxycamptothecin;7-ethyl-Camptothecin;
EINECS: 643-093-9
Density: 1.51 g/cm3
Melting Point: 217 °C
Boiling Point: 810.3 °C at 760 mmHg
Flash Point: 443.8 °C
Solubility:
Appearance: light-yellow solid
Hazard Symbols: T
Risk Codes: 25
Safety: 45
Transport Information:
PSA: 101.65000
LogP: 2.34760
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Chemistry

Molecule structure of 7-Ethyl-10-hydroxycamptothecin (CAS NO.86639-52-3):

Molecular Weight: 392.4046 g/mol
Molecular Formula: C22H20N2O
Density: 1.51 g/cm3 
Melting Point: 217 °C
Boiling Point: 810.3 °C at 760 mmHg 
Flash Point: 443.8 °C
Index of Refraction: 1.738
Molar Refractivity: 104.22 cm3
Molar Volume: 258.9 cm3
Surface Tension: 83.4 dyne/cm 
Enthalpy of Vaporization: 123.51 kJ/mol
Vapour Pressure: 9.67E-28 mmHg at 25 °C 
Storage Temp.: −20 °C
XLogP3-AA: 1.4
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 392.137222
MonoIsotopic Mass: 392.137222
Topological Polar Surface Area: 100
Heavy Atom Count: 29 
Canonical SMILES: CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)O
Isomeric SMILES: CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)O
InChI: InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1
InChIKey: FJHBVJOVLFPMQE-QFIPXVFZSA-N
Product Categories: Pharmaceutical Raw Materials; Miscellaneous Natural Products; Antitumors for Research and Experimental Use; Biochemistry;Natural Plant Extract; Chiral Reagents; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Natural Anti-cancer Medical Materials and It's Derivatives

Uses

 7-Ethyl-10-hydroxycamptothecin (CAS NO.86639-52-3) is not only a DNA topoisomerase inhibitor but also a metabolite of Irinotecan.

Specification

 7-Ethyl-10-hydroxycamptothecin (CAS NO.86639-52-3) is also named as (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione ; 7-Ethyl-10-hydroxy-20(S)-camptothecin ; Captothecin, 7-ethyl-10-hydroxy- ; NK 012 ; SN 38 ; SN 38 lactone ; SN-38 ; UNII-0H43101T0J ; H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (S)- . 7-Ethyl-10-hydroxycamptothecin (CAS NO.86639-52-3) is light-yellow solid.