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HDDAH-1-IN-2

CAT: 0931-T11545-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T11545-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2408834-77-3
Target
Others
Related Pathways
Others
Bioactivity
HDDAH-1-IN-2 is an orally active human dimethylarginine dimethylaminohydrolase-1 (hDDAH-1) inhibitor.
Smiles
C(=NCCCCN)(NCCOC)NO
Molecular Formula
C8H20N4O2
Molecular Weight
204.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

hDDAH-1-IN-2
CAS Number2408834-77-3
PubChem CID146014482
IUPAC Name2-(4-aminobutyl)-1-hydroxy-3-(2-methoxyethyl)guanidine
Molecular FormulaC8H20N4O2
Molecular Weight204.27
XLogP-1.4
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity152
SMILES
COCCNC(=NCCCCN)NO
InChI
InChI=1S/C8H20N4O2/c1-14-7-6-11-8(12-13)10-5-3-2-4-9/h13H,2-7,9H2,1H3,(H2,10,11,12)
InChIKey
VKMJFTKKOMFTTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of hDDAH-1-IN-2
CAS: 2408834-77-3
CID: 146014482
Formula: C8H20N4O2
MW: 204.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.27
XLogP3-1.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass204.15862589
Monoisotopic Mass204.15862589
Topological Polar Surface Area91.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity152
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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Alternative Products

CatalogName
MBS5766796hDDAH-1-IN-2
MBS5766802hDDAH-1-IN-1
HY-133145AHDDAH-1-IN-2 (sulfate)
MBS5804619hDDAH-1-IN-2 sulfate
MBS5766803hDDAH-1-IN-1 TFA
HY-133126AHDDAH-1-IN-1 (TFA)
GTR19229744-01HDDAH-1-IN-2 sulfate (2408834-77-3 free base)
RG-E141219-011,1,2,2-Tetraethyl 1,1,2,2-ethanetetracarboxylate
RG-E140468-011,1,1,2,2,2-hexamethyldisilane
OR96366-011,1,1,2,2,2-Hexaphenyldisilane

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