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Sotuletinib hydrochloride

CAT: 0607-C8456-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C8456-10Size:10 mg
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CAS Number
2222138-31-8
Synonyms
BLZ945 hydrochloride
Molecular Formula
C20H23ClN4O3S
Molecular Weight
434.94
Storage Conditions
Desiccate at -20°C
Physical Properties
A solid

Chemical Information

Sotuletinib hydrochloride
CAS Number2222138-31-8
PubChem CID141759984
IUPAC Name4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;hydrochloride
Molecular FormulaC20H23ClN4O3S
Molecular Weight434.9
Topological Polar Surface Area125
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity540
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)N[C@@H]4CCCC[C@H]4O.Cl
InChI
InChI=1S/C20H22N4O3S.ClH/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25;/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24);1H/t14-,17-;/m1./s1
InChIKey
IHWOVMRZEIHNGY-SATBOSKTSA-N
Chemical Structure
2D Structure
2D structure of Sotuletinib hydrochloride
CAS: 2222138-31-8
CID: 141759984
Formula: C20H23ClN4O3S
MW: 434.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass434.1179395
Monoisotopic Mass434.1179395
Topological Polar Surface Area125 Ų
Heavy Atom Count29
Formal Charge0
Complexity540
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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