Cas no 68426-53-9 (11-Hydroxycamptothecin)
11-Hydroxycamptothecin structure
Product Name:11-Hydroxycamptothecin
CAS No:68426-53-9
MF:C20H16N2O5
MW:364.351445198059
CID:970566
PubChem ID:135515469
Update Time:2025-04-19
11-Hydroxycamptothecin Chemical and Physical Properties
Names and Identifiers
-
- 11-Hydroxycamptothecin
- AYGNHRUVJDMUQV-FQEVSTJZSA-N
- DTXSID60276264
- 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4,8-dihydroxy-, (S)-
- 68426-53-9
- 11-hydroxy camptothecin
- CHEMBL39011
- SCHEMBL935913
- (19S)-19-ethyl-6,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
-
- Inchi： 1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-3-4-12(23)6-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1
- InChI Key： KXJNTORVTHBKGW-FQEVSTJZSA-N
- SMILES： O1C([C@](CC)(C2C=C3C4C(=CC5C=CC(=CC=5N=4)O)CN3C(C=2C1)=O)O)=O
Computed Properties
- Exact Mass: 364.10598
- Monoisotopic Mass: 364.10592162g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 1
- Complexity: 774
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 95.94
11-Hydroxycamptothecin Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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