Lavendustin B
Completing data — refresh the page later to see the latest
Basic information
- CAS
125697-91-8- Standard SMILES
O=C(O)c1cc(N(Cc2ccccc2O)Cc2ccccc2O)ccc1O- InChIKey
RTYOLBQXFXYMKY-UHFFFAOYSA-N- Molecular formula
- C21H19NO5
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.12632271
Overview
Lavendustin B is an aromatic amine.
Names & identifiers
- Preferred name
- Lavendustin B
- IUPAC
- 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
- English name
- LAVENDUSTIN B
- Molecular formula
- C21H19NO5
- Molecular weight
- 365.38
Names & synonyms
lavendustin b125697-91-85-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid7T53EGQ52ZBenzoic acid, 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxy-DTXSID401548545-(Bis((2-hydroxyphenyl)methyl)amino)-2-hydroxybenzoic acid5-{bis[(2-hydroxyphenyl)methyl]amino}-2-hydroxybenzoic acidBenzoic acid, 5-(bis((2-hydroxyphenyl)methyl)amino)-2-hydroxy-RefChem:152553DTXCID1077345878-714-4
Show more names
lavendustin B, 10 mM in DMSON,N-BIS(2'-HYDROXYBENZYL)-3-AMINOSALICYLIC ACID5-AMINO-(N,N'-BIS-2-HYDROXYBENZYL)SALICYLIC ACID3-(bis(2-hydroxybenzyl)amino)-2-hydroxybenzoic acid2-Hydroxy-5-[bis(2-hydroxybenzyl)amino]benzoic acid5-(Bis(2-hydroxybenzyl)amino)-2-hydroxybenzoic acid[Lavendustin B]
5-(bis(2-hydroxybenzyl)amino)-2-hydroxybenzoic acid5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxy-benzoic acid5-[bis(2-hydroxybenzyl)amino]-2-hydroxybenzoic acidUNII-7T53EGQ52Zlavendustin B?Benzoic acid,5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxy-CHEMBL485258orb1223361
Database identifiers
- CAS
125697-91-8- PubChem CID
- 3895
- DTXSID
DTXSID40154854- ChEMBL
CHEMBL485258- ChEBI
CHEBI:213920- UNII
- 7T53EGQ52Z
- EC Number
- 878-714-4
- Nikkaji
- J438.416D
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Melting point
- 140 · 140-144°C
- Boiling point
- 671.1 · 671.1±55.0 °C(Predicted)
- Density
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.31 · 2.31±0.10(Predicted)
- color
- Off-White to Pale Pink
- Sensitive
- Light Sensitive
- FDA UNII
- 7 T53EGQ52Z · 7T53EGQ52Z
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesA tyrosine kinase inhibitor. Inhibition is competitive with ATP and is noncompetitive with the peptide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…