Research chemical
CAS Number: 8012-34-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
111038
Exact Mass
691.190586
InChIKey
JTDRBSMSKQRBGT-UHFFFAOYSA-L
IUPAC Name
sodium;1,3-dimethyl-7H-purine-2,6-dione;mercury(2+);3-(2-methoxypropylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate;hydroxide
SMILES String
CC1(C(CCC1(C)C(=O)[O-])C(=O)NCC([CH2-])OC)C.CN1C2=C(C(=O)N(C1=O)C)NC=N2.[OH-].[Na+].[Hg+2]
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Mercurophylline is identified by CAS 8012-34-8, with molecular formula C21H32HgN5NaO7, molecular weight 690.1, InChIKey JTDRBSMSKQRBGT-UHFFFAOYSA-L.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
35
H-bond acceptors
12
H-bond donors
3
Rotatable bonds
5
Ring count
3
Aromatic rings
2
Topological polar surface area
181.14 Ų
Computed LogP
-4.07
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal catalyst or complex
Precious metal motif
No
Transition metal motif
Yes
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Mercurophylline (CAS 8012-34-8) is maintained as a commercial cas reference with formula C21H32HgN5NaO7, molecular weight 690. 10 g/mol, PubChem CID 111038.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, transition-metal-containing structure.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.