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N-Methylcolchifoline

HCID 100133
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Basic information

CAS
86436-33-1
Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N(C)C(=O)CO)CC2
InChIKey
IMFKEFSPNMKGLP-UHFFFAOYSA-N
Molecular formula
C23H27NO7
Average molar mass
429.5 g/mol
Monoisotopic mass
429.1787522

Names & identifiers

Preferred name
N-Methylcolchifoline
IUPAC
2-hydroxy-N-methyl-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
English name
2-Hydroxy-N-methyl-N-[5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide
Molecular weight
0

Names & synonyms

N-MethylcolchifolineRefChem:1091945N-HydroxyacetyldemecolcineDemocolcine, N-hydroxyacetyl86436-33-1NSC 335988BRN 5657354NSC335988Acetamide, 2-hydroxy-N-methyl-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-NSC-3359882-Hydroxy-N-methyl-N-[5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide

Database identifiers

CAS
86436-33-1
PubChem CID
100133
Nikkaji
J74.900A

Properties

Computed structural propertiesFilling in

XLogP
0.6
Topological polar surface area
94.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Formal charge
0
Complexity
787

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