Methoxycamptothecin
Basic information
- CAS
19685-10-0- Standard SMILES
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC)ccc3nc2-1- InChIKey
KLFJSYOEEYWQMR-UHFFFAOYSA-N- Molecular formula
- C21H18N2O5
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.12157168
Overview
See also: 10-Methoxycamptothecin (annotation moved to); 2-Acetylfuran (annotation moved to).
Names & identifiers
- Preferred name
- Methoxycamptothecin
- IUPAC
- 19-ethyl-19-hydroxy-7-methoxy-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
- English name
- 10-Methoxycamptothecin
- Molecular formula
- C21H18N2O5
- Molecular weight
- 378.38
Names & synonyms
MethoxycamptothecinCAMPTOTHECIN,10-METHOXYCamptothecin, methoxy-Camptothecine, 10-methoxy-SCHEMBL9384862SCHEMBL29994505KLFJSYOEEYWQMR-UHFFFAOYSA-NPD118656{1H-Pyrano[3',4':6,} {7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,} 4-ethyl-4-hydroxy-9-methoxy-, (S)-1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-9-methoxy-, (S)-4-Ethyl-4-hydroxy-9-methoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione #product/154918
Show more names
10-METHOXYCAMPTOTHECIN10-MethoxycaMptothecineCamptothecin Impurity 8 (10-Methoxycamptothecin)10 Methoxycamptothecin,Inhibitor,10Methoxycamptothecin,inhibit,10-Methoxycamptothecin(4S)-4-Ethyl-4-hydroxy-9-methoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione(4S)-9-Methoxy-4α-ethyl-4β-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-9-methoxy-, (4S)-
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 790
Physicochemical properties
- Melting point
- 254 · 254-255℃
- Boiling point
- 773.1 · 773.1±60.0 °C(Predicted)
- Density
- 1.5 · 1.50
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Cryst.
- pka
- 11.21 · 11.21±0.20(Predicted)
- color
- White to yellow
- InChI
- InChI=1S/C21H18N2O5/c1-3-21(26)15-8-17-18-12(6-11-7-13(27-2)4-5-16(11)22-18)9-23(17)19(24)14(15)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1
- InChIKey
- KLFJSYOEEYWQMR-NRFANRHFSA-N
- SMILES
- N1C2C(=CC(OC)=CC=2)C=C2CN3C(C=12)=CC1[C@](CC)(O)C(=O)OCC=1C3=O
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 501 · P501-P270-P264-P301+P310+P330-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P501-P270-P264-P301+P310+P330-P405
Chemistry & industry
Applications
DescriptionA minor constituent of Mappia foetida Miers. The alkaloid yields pale yellow crystals when purified from CHC13-MeOH. It is laevorotatory with [α]24D - 77.5° (c 1.0, pyridine). The structure has been established by spectroscopic methods.
Uses10-Methoxycamptothecin is a Camptothecin (C175150) derivative used in the treatment of cancers. Used in the treatment of hyperproliferative diseases.
Uses9-Methoxycamptothecin is an alkaloid derivative of Camptothecin (C175150) derivative used in the treatment of cancers. Camptothecin is a potent anti-cancer agent.
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