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N-Desacetyl Thiocolchicoside

CAT: 1459-CS-T-88917Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-88917Size:1 Each
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Description
N-Desacetyl Thiocolchicoside is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Thiocolchicoside. The product is supplied by Clearsynth under CAT No. CS-T-88917. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
177991-81-0
Synonyms
N-Desacetyl Thiocolchicoside
Molecular Formula
C 25 H 31 NO 9 S
Molecular Weight
521.58
Additionnal Information
N-Desacetyl Thiocolchicoside is supplied with detailed characterization data compliant with regulatory guideline. N-Desacetyl Thiocolchicoside can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Thiocolchicoside.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

N-Desacetyl Thiocolchicoside
CAS Number177991-81-0
PubChem CID139025692
IUPAC Name(7S)-7-amino-1,2-dimethoxy-10-methylsulfanyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Molecular FormulaC25H31NO9S
Molecular Weight521.6
XLogP-0.6
Topological Polar Surface Area186
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity908
SMILES
COC1=C(C=C2CC[C@@H](C3=CC(=O)C(=CC=C3C2=C1OC)SC)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C25H31NO9S/c1-32-23-16(34-25-22(31)21(30)20(29)17(10-27)35-25)8-11-4-6-14(26)13-9-15(28)18(36-3)7-5-12(13)19(11)24(23)33-2/h5,7-9,14,17,20-22,25,27,29-31H,4,6,10,26H2,1-3H3/t14-,17+,20+,21-,22+,25+/m0/s1
InChIKey
RJAWLKAFTABSNI-YWDFIMJQSA-N
Chemical Structure
2D Structure
2D structure of N-Desacetyl Thiocolchicoside
CAS: 177991-81-0
CID: 139025692
Formula: C25H31NO9S
MW: 521.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.6
XLogP3-0.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass521.17195274
Monoisotopic Mass521.17195274
Topological Polar Surface Area186 Ų
Heavy Atom Count36
Formal Charge0
Complexity908
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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