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SLC5111312 (hydrochloride)

CAT: 0804-HY-125165-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-125165-01Size:500 µg
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Description
SLC5111312 hydrochloride is a biochemical reagent.
CAS Number
1870811-01-0
UNSPSC
12352005
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/slc5111312-hydrochloride.html
Smiles
CCCCCOC1=CC=C2C(C=CC(C3=NOC([C@@H]4[C@H](CCN4C(N)=N)O)=N3)=C2)=C1.Cl
Molecular Formula
C22H28ClN5O3
Molecular Weight
445.94
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

SLC5111312 HCl
CAS Number1870811-01-0
PubChem CID127051152
IUPAC Name(2S,3S)-3-hydroxy-2-[3-(6-pentoxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
Molecular FormulaC22H28ClN5O3
Molecular Weight445.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity579
SMILES
CCCCCOC1=CC2=C(C=C1)C=C(C=C2)C3=NOC(=N3)[C@@H]4[C@H](CCN4C(=N)N)O.Cl
InChI
InChI=1S/C22H27N5O3.ClH/c1-2-3-4-11-29-17-8-7-14-12-16(6-5-15(14)13-17)20-25-21(30-26-20)19-18(28)9-10-27(19)22(23)24;/h5-8,12-13,18-19,28H,2-4,9-11H2,1H3,(H3,23,24);1H/t18-,19-;/m0./s1
InChIKey
SYUYODDXPKNMOE-HLRBRJAUSA-N
Chemical Structure
2D Structure
2D structure of SLC5111312 HCl
CAS: 1870811-01-0
CID: 127051152
Formula: C22H28ClN5O3
MW: 445.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass445.1880675
Monoisotopic Mass445.1880675
Topological Polar Surface Area121 Ų
Heavy Atom Count31
Formal Charge0
Complexity579
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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