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Pf 04671536 hydrochloride

CAT: 0926-FCC11667-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FCC11667-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1305116-67-9
Smiles
CC1=NC (=C2C (=N1) N (N=N2) CC3CN (CCO3) CC4=NC=CS4) N.Cl
Molecular Formula
C14H19ClN8OS
Molecular Weight
382.9 g/mol
Controlled
No

Chemical Information

PF-04671536 hydrochloride
CAS Number1305116-67-9
PubChem CID131954582
IUPAC Name5-methyl-3-[[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine;hydrochloride
Molecular FormulaC14H19ClN8OS
Molecular Weight382.9
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity432
SMILES
CC1=NC(=C2C(=N1)N(N=N2)C[C@H]3CN(CCO3)CC4=NC=CS4)N.Cl
InChI
InChI=1S/C14H18N8OS.ClH/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11;/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18);1H/t10-;/m1./s1
InChIKey
KNBIGIZPAKPDTF-HNCPQSOCSA-N
Chemical Structure
2D Structure
2D structure of PF-04671536 hydrochloride
CAS: 1305116-67-9
CID: 131954582
Formula: C14H19ClN8OS
MW: 382.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass382.1091061
Monoisotopic Mass382.1091061
Topological Polar Surface Area136 Ų
Heavy Atom Count25
Formal Charge0
Complexity432
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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