Npc324720
Basic information
- CAS
78249-43-1- Standard SMILES
COc1cc2c(c3c1OCO3)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2- InChIKey
RTZOCCKNBIQGFS-UHFFFAOYSA-N- Molecular formula
- C21H21NO6
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.13688739
Names & identifiers
- Preferred name
- Npc324720
- IUPAC
- N-(5,14-dimethoxy-6-oxo-16,18-dioxatetracyclo[10.7.0.02,8.015,19]nonadeca-1(19),2,4,7,12,14-hexaen-9-yl)acetamide
Names & synonyms
RefChem:1093136Npc3247201,2-(Methylenedioxy)-1,2-demethylcolchicineAcetamide, N-(6,7,8,10-tetrahydro-4,11-dimethoxy-10-oxoheptaleno(1,2-e)-1,3-benzodioxol-8-yl)-, (S)-78249-43-1RTZOCCKNBIQGFS-UHFFFAOYSA-NNSC355636NSC 355636NSC-355636Colchicine, 3,4-didemethoxy-3,4-(methylenedioxy)-N-(4,11-Dimethoxy-10-oxo-6,7,8,10-tetrahydroheptaleno[1,2-e][1,3]benzodioxol-8-yl)acetamide, (S)-
Database identifiers
- CAS
78249-43-1- PubChem CID
- 100176
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 754
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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