Aminomethylbenzoic acid

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Aminomethylbenzoic acid
DrugBank Accession Number
DB13244
Background

Aminomethylbenzoic acid may be useful as an antifibrinolytic agent 1.

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 151.1626
Monoisotopic: 151.063328537
Chemical Formula
C8H9NO2
Synonyms
Not Available

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
Albutrepenonacog alfaAminomethylbenzoic acid may increase the thrombogenic activities of Albutrepenonacog alfa.
Alpha-1-proteinase inhibitorAlpha-1-proteinase inhibitor may increase the thrombogenic activities of Aminomethylbenzoic acid.
AlteplaseThe therapeutic efficacy of Aminomethylbenzoic acid can be decreased when used in combination with Alteplase.
Aminocaproic acidAminocaproic acid may increase the thrombogenic activities of Aminomethylbenzoic acid.
Andexanet alfaAminomethylbenzoic acid may increase the thrombogenic activities of Andexanet alfa.
Food Interactions
Not Available

Categories

ATC Codes
B02AA03 — Aminomethylbenzoic acid
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Benzoic acids
Alternative Parents
Phenylmethylamines / Benzylamines / Benzoyl derivatives / Aralkylamines / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organooxygen compounds / Organic oxides
show 2 more
Substituents
Amine / Amino acid / Amino acid or derivatives / Aralkylamine / Aromatic homomonocyclic compound / Benzoic acid / Benzoyl / Benzylamine / Carboxylic acid / Carboxylic acid derivative
show 11 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
68WG9JKC7L
CAS number
56-91-7
InChI Key
QCTBMLYLENLHLA-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)
IUPAC Name
4-(aminomethyl)benzoic acid
SMILES
NCC1=CC=C(C=C1)C(O)=O

References

General References
  1. Heidrich R, Markwardt F, Endler S, Hindersin P: Antifibrinolytic therapy of subarachnoid hemorrhage by intrathecal administration of p-aminomethylbenzoic acid. J Neurol. 1978 Sep 12;219(1):83-5. [Article]
ChemSpider
58971
BindingDB
50408790
RxNav
14852
ChEBI
134774
ChEMBL
CHEMBL328875
ZINC
ZINC000012359009
PDBe Ligand
4AZ
Wikipedia
Aminomethylbenzoic_acid
PDB Entries
3kgp

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.65 mg/mLALOGPS
logP-2ALOGPS
logP-1.5Chemaxon
logS-1.6ALOGPS
pKa (Strongest Acidic)3.87Chemaxon
pKa (Strongest Basic)9.32Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area63.32 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity41.79 m3·mol-1Chemaxon
Polarizability15.53 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0kai-3900000000-872e3e1d32767d397b8d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014l-6900000000-b412d350299532e99194
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000x-8900000000-53fe12f11fe9556a3d8f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0900000000-d3bcea3720ce49ba58b3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fr6-9500000000-87601287007ac7731a6f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9400000000-61a3d85247dcf3d3cf2a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-056r-9400000000-7ddbee76db64741a4cb2
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-135.4715896
predicted
DarkChem Lite v0.1.0
[M-H]-125.82599
predicted
DeepCCS 1.0 (2019)
[M+H]+136.3143896
predicted
DarkChem Lite v0.1.0
[M+H]+129.61961
predicted
DeepCCS 1.0 (2019)
[M+Na]+135.4441896
predicted
DarkChem Lite v0.1.0
[M+Na]+138.31905
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at June 12, 2020 16:53