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AH 18801

CAT: 0013-GTR19195839-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195839-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AH 18801 is a biochemical research compound utilized in both in vitro and in vivo studies. It serves as a tool in pharmacological and biochemical research to investigate specific biological pathways and mechanisms.
CAS Number
66357-17-3
Smiles
N#CNC (=NCCSCC=1OC (=CC1) CN (C) C) NC
Molecular Formula
C13H21N5OS
Molecular Weight
295.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AH 18801

structure given in first source

CAS Number66357-17-3
PubChem CID182530
IUPAC Name1-cyano-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-methylguanidine
Molecular FormulaC13H21N5OS
Molecular Weight295.41
XLogP0.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count20
Formal Charge0
Complexity352
SMILES
CN=C(NCCSCC1=CC=C(O1)CN(C)C)NC#N
InChI
InChI=1S/C13H21N5OS/c1-15-13(17-10-14)16-6-7-20-9-12-5-4-11(19-12)8-18(2)3/h4-5H,6-9H2,1-3H3,(H2,15,16,17)
InChIKey
PRNVIKLDENQXRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AH 18801
CAS: 66357-17-3
CID: 182530
Formula: C13H21N5OS
MW: 295.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.41
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass295.14668148
Monoisotopic Mass295.14668148
Topological Polar Surface Area102 Ų
Heavy Atom Count20
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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