Cas no 219547-29-2 (N-Desacetyl-N-formyl Thiocolchicoside)

N-Desacetyl-N-formyl Thiocolchicoside is a semi-synthetic derivative of thiocolchicoside, characterized by the replacement of the acetyl group with a formyl moiety at the nitrogen position. This structural modification enhances its pharmacological profile, particularly in terms of metabolic stability and receptor binding affinity. The compound exhibits potent muscle relaxant and anti-inflammatory properties, making it a candidate for therapeutic applications in musculoskeletal disorders. Its improved bioavailability and reduced toxicity compared to parent compounds underscore its potential in clinical research. The precise mechanism of action involves modulation of GABAergic and glycinergic pathways, contributing to its efficacy in spasticity and pain management.

N-Desacetyl-N-formyl Thiocolchicoside structure

219547-29-2 structure

Product Name:N-Desacetyl-N-formyl Thiocolchicoside

CAS No:219547-29-2

MF:C₂₆H₃₁NO₁₀S

MW:549.590047121048

CID:1062280

PubChem ID:71315528

Update Time:2025-10-12

N-Desacetyl-N-formyl Thiocolchicoside Chemical and Physical Properties

Names and Identifiers

- N-Desacetyl-N-formyl Thiocolchicoside
- N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
- N-[(7S)-3-(beta-D-Glucopyranosyloxy)-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]formamide
- DTXSID80747502
- 219547-29-2
- N-[(7S)-3-(beta-D-Glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]formamide
- Inchi： 1S/C26H31NO10S/c1-34-24-17(36-26-23(33)22(32)21(31)18(10-28)37-26)8-12-4-6-15(27-11-29)14-9-16(30)19(38-3)7-5-13(14)20(12)25(24)35-2/h5,7-9,11,15,18,21-23,26,28,31-33H,4,6,10H2,1-3H3,(H,27,29)/t15-,18+,21+,22-,23+,26+/m0/s1
- InChI Key： HBTNEQNKAJFDDC-MSNGREAPSA-N
- SMILES： S(C)C1=CC=C2C(=CC1=O)[C@H](CCC1C=C(C(=C(C=12)OC)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)NC=O

Computed Properties

Exact Mass: 549.16686736g/mol
Monoisotopic Mass: 549.16686736g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 5
Hydrogen Bond Acceptor Count: 11
Heavy Atom Count: 38
Rotatable Bond Count: 7
Complexity: 970
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 6
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: -0.4
Topological Polar Surface Area: 189?2

Experimental Properties

Density: 1.5±0.1 g/cm3
Melting Point: 182-188oC
Boiling Point: 922.6±65.0 °C at 760 mmHg
Flash Point: 511.8±34.3 °C
Vapor Pressure: 0.0±0.3 mmHg at 25°C

N-Desacetyl-N-formyl Thiocolchicoside Security Information

Signal Word：warning
Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Warning Statement： P264+P280+P305+P351+P338+P337+P313
Safety Instruction： H303+H313+H333
Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

N-Desacetyl-N-formyl Thiocolchicoside Pricemore >>

Related Categories	No.	Product Name	Cas No.	Specification	Price	update time
TRC	D288410-1mg	N-Desacetyl-N-formyl Thiocolchicoside	219547-29-2	1mg	$ 215.00	2023-09-08
TRC	D288410-5mg	N-Desacetyl-N-formyl Thiocolchicoside	219547-29-2	5mg	$1007.00	2023-05-18
TRC	D288410-10mg	N-Desacetyl-N-formyl Thiocolchicoside	219547-29-2	10mg	$ 1629.00	2023-09-08
TRC	D288410-25mg	N-Desacetyl-N-formyl Thiocolchicoside	219547-29-2	25mg	$ 3686.00	2023-09-08
A2B Chem LLC	AF63544-1mg	N-Desacetyl-N-forMyl Thiocolchicoside	219547-29-2	1mg	$413.00	2024-04-20
A2B Chem LLC	AF63544-5mg	N-Desacetyl-N-forMyl Thiocolchicoside	219547-29-2	5mg	$1288.00	2024-04-20