N-deacetyl-N-formylcolchicine
Basic information
- CAS
7411-12-3- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC=O)CC2- InChIKey
HDSXDWASQCHADG-HNNXBMFYSA-N- Molecular formula
- C21H23NO6
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.15253745
Overview
Gloriosine is a cyclic ketone.
Names & identifiers
- Preferred name
- N-deacetyl-N-formylcolchicine
- IUPAC
- N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
- English name
- GLORIOSINE
- Molecular formula
- C21H23NO6
- Molecular weight
- 385.41
Names & synonyms
Gloriosine7411-12-3N-Deacetyl-N-formylcolchicineNSC-403142U02803H7OJDTXSID80225057RefChem:829761DTXCID80147548630-568-0N-FormyldeacetylcolchicineN-Deacetyl-N-formyl ColchicineColchicine EP Impurity A
Show more names
Colchicine impurity AFORMYLDEACETYLCOLCHICINE,N-n-deacetyl-n-formyl-colchicinN-ForMyl-N-desacetylcolchicineColchicine Impurity 1（Colchicine EP Impurity A）
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamideNSC 403142COLCHICINE, N-DEACETYL-N-FORMYL-NSC403142N-FormyldesacetylcolchicineFormyldescaetylcolchicine, N-N-Formyl-N-deacetylcolchicineFORMYLDESACETYLCOLCHICINE, N-
Database identifiers
- CAS
7411-12-3- PubChem CID
- 23890
- DTXSID
DTXSID80225057- ChEMBL
CHEMBL85710- ChEBI
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 697
Physicochemical properties
- Melting point
- 264 · 264-267°C
- Boiling point
- 715.8 · 715.8±60.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Sparingly, Heated, Sonicated), DMSO (Slightly, Heated)
- pka
- 14.63 · 14.63±0.40(Predicted)
- form
- Solid
- color
- Yellow to Orange
- InChI
- InChI=1S/C21H23NO6/c1-25-17-8-6-13-14(10-16(17)24)15(22-11-23)7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
- InChIKey
- HDSXDWASQCHADG-HNNXBMFYSA-N
- SMILES
- C(N[C@@H]1C2C(C3=C(OC)C(OC)=C(OC)C=C3CC1)=CC=C(OC)C(=O)C=2)=O
- FDA UNII
- 2803 H7OJ · U02803H7OJ
- Symbol(GHS)
- 8 · GHS08,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P320, P321, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS05,GHS06
- Hazard statements
- H318-H300-H330-H340
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Chemistry & industry
Applications
UsesColchicine (C640000) derivative. A new alkaloid from Gloriosa superba.
Additional notes
DefinitionChEBI: Gloriosine is a cyclic ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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