Drug Information

Drug ID:  NPD837
Drug Name:  Tolbutamide Sodium, Sterile
Molecular Formula:  C12H18N2O3S.Na
Canonical SMILES:  CCCCN=C(NS(=O)(=O)c1ccc(cc1)C)[O-].[Na+]
Standard InCHI:  InChI=1S/C12H18N2O3S.Na/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11;/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15);/q;+1/p-1
Standard InCHIKey:  QKHDBRQBSNZFAK-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD837

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

Drug Structure

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External Identifiers

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

Drug Properties

Molecular Weight  269.10
ALogP  -1.2728
MLogP  2.12
XLogP  3.36
HDA  5
HBD  1
Rotatable Bonds  9
TPSA  89.97
RO5 Violation  0