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Hirudonucleodisulfide A

CAT: 0013-GTR19218207Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218207Size:2 mg
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Description
Hirudonucleodisulfide A is a heterocyclic compound isolated from the leech Whitmania pigra. It demonstrates moderate activity against anoxia, making it a candidate for research in models of ischemic injury, both in cellular (in vitro) and animal (in vivo) studies.
CAS Number
1072789-37-7
Smiles
O=C1N=C2NC=3SC (C (=O) O) =C (SC) C3N=C2C (=O) N1
Molecular Formula
C10H6N4O4S2
Molecular Weight
310.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hirudonucleodisulfide A
CAS Number1072789-37-7
PubChem CID42614049
IUPAC Name6-methylsulfanyl-2,4-dioxo-1H-thieno[3,2-g]pteridine-7-carboxylic acid
Molecular FormulaC10H6N4O4S2
Molecular Weight310.3
XLogP0.8
Topological Polar Surface Area175
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity476
SMILES
CSC1=C(SC2=C1N=C3C(=N2)NC(=O)NC3=O)C(=O)O
InChI
InChI=1S/C10H6N4O4S2/c1-19-4-2-8(20-5(4)9(16)17)12-6-3(11-2)7(15)14-10(18)13-6/h1H3,(H,16,17)(H2,12,13,14,15,18)
InChIKey
RXUMDCKGBHBMTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hirudonucleodisulfide A
CAS: 1072789-37-7
CID: 42614049
Formula: C10H6N4O4S2
MW: 310.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.3
XLogP30.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass309.98304703
Monoisotopic Mass309.98304703
Topological Polar Surface Area175 Ų
Heavy Atom Count20
Formal Charge0
Complexity476
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

Alternative Products

CatalogName
AB2745Hirudonucleodisulfide A
HY-N10000-01Hirudonucleodisulfide B
AB3189Hirudonucleodisulfide C

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