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UCD74A HCl

CAT: 0013-GTR19208470-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208470-03Size:100 mg
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Description
UCD74A HCl
CAS Number
1345838-99-4
Smiles
Cl.NC (=N) NC (=O) c1nc (Cl) c (NCC (O) =O) nc1N
Molecular Formula
C8H11Cl2N7O3
Molecular Weight
324.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

UCD74A Hydrochloride
CAS Number1345838-99-4
PubChem CID57392795
IUPAC Name2-[[6-amino-3-chloro-5-(diaminomethylidenecarbamoyl)pyrazin-2-yl]amino]acetic acid;hydrochloride
Molecular FormulaC8H11Cl2N7O3
Molecular Weight324.12
Topological Polar Surface Area183
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity387
SMILES
C(C(=O)O)NC1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N.Cl
InChI
InChI=1S/C8H10ClN7O3.ClH/c9-4-6(13-1-2(17)18)15-5(10)3(14-4)7(19)16-8(11)12;/h1H2,(H,17,18)(H3,10,13,15)(H4,11,12,16,19);1H
InChIKey
DAXTZYIVXWPBGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of UCD74A Hydrochloride
CAS: 1345838-99-4
CID: 57392795
Formula: C8H11Cl2N7O3
MW: 324.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.12
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass323.0300426
Monoisotopic Mass323.0300426
Topological Polar Surface Area183 Ų
Heavy Atom Count20
Formal Charge0
Complexity387
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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