Drug Information

Drug ID:  NPD9743
Drug Name:  Dihydroxialumini Sodium Carbonate
Molecular Formula:  CH2O3.Al.Na.2H2O
Canonical SMILES:  [O-]C(=O)[O-].[OH-].[OH-].[Na+].[Al+3]
Standard InCHI:  InChI=1S/CH2O3.Al.Na.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/q;+3;+1;;/p-4
Standard InCHIKey:  SEIGJEJVIMIXIU-UHFFFAOYSA-J
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9743

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.75 NPC327795

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
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CAS Number  

Drug Properties

Molecular Weight  59.98
ALogP  -1.1933
MLogP  1.24
XLogP  -1.192
HDA  3
HBD  0
Rotatable Bonds  2
TPSA  63.19
RO5 Violation  0