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Deacetylthiocolchicine hydrochloride

CAT: 0013-GTR19223625-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223625-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Deacetylthiocolchicine hydrochloride is a small molecule research compound. It serves as a biochemical tool for studying tubulin dynamics and mitosis inhibition in cell biology research, with applications in both in vitro and in vivo experimental models.
CAS Number
16665-61-5
Smiles
O (C) C1=C2C=3C (=CC (=O) C (SC) =CC3) [C@@H] (N) CCC2=CC (OC) =C1OC.Cl
Molecular Formula
C20H24ClNO4S
Molecular Weight
409.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Deacetylthiocolchicine hydrochloride
CAS Number16665-61-5
PubChem CID84047
IUPAC Name(7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one;hydrochloride
Molecular FormulaC20H24ClNO4S
Molecular Weight409.9
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity642
SMILES
COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)N)OC)OC.Cl
InChI
InChI=1S/C20H23NO4S.ClH/c1-23-16-9-11-5-7-14(21)13-10-15(22)17(26-4)8-6-12(13)18(11)20(25-3)19(16)24-2;/h6,8-10,14H,5,7,21H2,1-4H3;1H/t14-;/m0./s1
InChIKey
FZWWESYLVBVOGY-UQKRIMTDSA-N
Chemical Structure
2D Structure
2D structure of Deacetylthiocolchicine hydrochloride
CAS: 16665-61-5
CID: 84047
Formula: C20H24ClNO4S
MW: 409.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass409.1114571
Monoisotopic Mass409.1114571
Topological Polar Surface Area96.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity642
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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