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Cerdulatinib hydrochloride

CAT: 0127-BUP09991-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09991-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1369761-01-2
Synonyms
Cerdulatinib, PRT2070, PRT062070 hydrochloride, PRT2070 hydrochloride, PRT062070
Purity
=98%
Smiles
Cl.CCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1

Chemical Information

Cerdulatinib Hydrochloride
CAS Number1369761-01-2
PubChem CID56960607
IUPAC Name4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide;hydrochloride
Molecular FormulaC20H28ClN7O3S
Molecular Weight482.0
Topological Polar Surface Area142
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity711
SMILES
CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N.Cl
InChI
InChI=1S/C20H27N7O3S.ClH/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14;/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25);1H
InChIKey
IYULGYKOHUAYCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cerdulatinib Hydrochloride
CAS: 1369761-01-2
CID: 56960607
Formula: C20H28ClN7O3S
MW: 482.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass481.1662866
Monoisotopic Mass481.1662866
Topological Polar Surface Area142 Ų
Heavy Atom Count32
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T6104-01Cerdulatinib hydrochloride
HY-15999A-01Cerdulatinib (hydrochloride)
A14210-100Cerdulatinib hydrochloride 100mg
A14210-50Cerdulatinib hydrochloride 50mg
C12830-200mgCerdulatinib (PRT062070) hydrochloride
A14210-25Cerdulatinib hydrochloride 25mg
A14210-5Cerdulatinib hydrochloride 5mg
A14210-200Cerdulatinib hydrochloride 200mg
A14210-2Cerdulatinib hydrochloride 2mg
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