Basic information
- CAS
7688-64-4- Standard SMILES
CCC1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1- InChIKey
ASVIEXKOXDCZDF-UHFFFAOYSA-N- Molecular formula
- C22H18N2O5
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.12157168
Overview
See also: O-Acetylcamptothecin (annotation moved to).
Names & identifiers
- Preferred name
- Camptothecin, acetate
- IUPAC
- (19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) acetate
- English name
- O-acetylcamptothecin
- Molecular formula
- C22H18N2O5
- Molecular weight
- 390.39
Names & synonyms
Camptothecin, acetateNSC95382Camptothecin-20(S)-acetate4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl acetateNSC-95382Neuro_000043[ethyl(dioxo)[?]yl] acetateCHEMBL2004368SCHEMBL12045792SCHEMBL326729401H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-(acetyloxy)-4-ethyl-, (S)-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) acetate
Show more names
O-acetylcamptothecin20-O-Acetylcamptothecin1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-(acetyloxy)-4-ethyl-, (4S)-
NCI60_042119SY394185(S)-4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3 inverted exclamation mark ,4 inverted exclamation mark :6,7]indolizino[1,2-b]quinolin-4-yl Acetate1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-(acetyloxy)-4-ethyl-, (S)-
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 846
Physicochemical properties
- Melting point
- 271 · 271-274 °C
- Boiling point
- 741 · 741.0±60.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 4.69 · 4.69±0.40(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 1 V364427UG · 1V364427UG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Chemistry & industry
Suppliers5 total
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西西化化学工业有限公司18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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