ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200391
CHEMBL1200391
Compound Name TROMETHAMINE
ChEMBL Synonyms TROMETHAMINE | THAM | TROMETAMOL
Max Phase 4 (Approved)
Trade Names THAM
Molecular Formula C4H11NO3

Additional synonyms for CHEMBL1200391 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(CO)(CO)CO
Standard InChI InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2
Standard InChI Key LENZDBCJOHFCAS-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1200391

Molecule Features

CHEMBL1200391 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
NEOPLASMSD009369EFO:0000616NEOPLASM1ClinicalTrials

Clinical Data

ClinicalTrials.gov TROMETHAMINE
The Cochrane Collaboration TROMETHAMINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
121.1 121.0739 -2.38 3 86.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 4 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.76 7.78 -2.52 -4.67 0 8 0.34

Structural Alerts

There are no structural alerts for CHEMBL1200391

Compound Cross References

ATC B - BLOOD AND BLOOD FORMING ORGANS
B05 - BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
B05B - I.V. SOLUTIONS
B05BB - Solutions affecting the electrolyte balance
B05BB03 - trometamol

B - BLOOD AND BLOOD FORMING ORGANS
B05 - BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
B05X - I.V. SOLUTION ADDITIVES
B05XX - Other i.v. solution additives
B05XX02 - trometamol

ChemSpider ChemSpider:LENZDBCJOHFCAS-UHFFFAOYSA-N
DailyMed tromethamine
PubChem SID: 144208844 SID: 144213484 SID: 170464686 SID: 29215348 SID: 29215349
Wikipedia Tris

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200391



ACToR 108195-86-4 77-86-1
Brenda 44904 103808 72292 48484 90921 129684 5624 95258 317 155462 4057 47193
ChEBI 9754
DrugBank DB03754
DrugCentral 2771
eMolecules 475930
EPA CompTox Dashboard DTXSID2023723
FDA SRS 023C2WHX2V
Guide to Pharmacology 7328
IBM Patent System 611B138CFE886C5AFA29C6B7B45ECC2D
KEGG Ligand C07182
Mcule MCULE-7300085951
MolPort MolPort-001-793-006
Nikkaji J4.214E
NMRShiftDB 10024064
PubChem 6503
PubChem: Thomson Pharma 15194418
Selleck trometamol
SureChEMBL SCHEMBL975
ZINC ZINC000000896695

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/LENZDBCJOHFCAS-UHFFFAOYSA-N spacer
spacer