Basic information
- CAS
526-18-1- Standard SMILES
O=C(Nc1ccc(O)cc1)c1ccccc1O- InChIKey
LGCMKPRGGJRYGM-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Overview
Osalmid is an organic molecular entity.
Names & identifiers
- Preferred name
- Osalmid
- IUPAC
- 2-hydroxy-N-(4-hydroxyphenyl)benzamide
- English name
- 2-Hydroxy-N-(4-hydroxyphenyl)-benzamide
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23
Names & synonyms
osalmid526-18-1OxaphenamideOsalmide4'-HydroxysalicylanilideOsalmidaOxaphenamidumOsalmidumL-1718NSC-93960DTXSID004224489741L759Z
Show more names
phpsLOIRDdrioll1718auxobilbilocolenidran
DTXCID8022244RefChem:856962208-385-92-Hydroxy-N-(4-hydroxyphenyl)benzamideBileneOxaphenamidSalmidochol2-Hydroxy-N-(4-hydroxyphenyl)-Benzamide
Database identifiers
- CAS
526-18-1- PubChem CID
- 4602
- DTXSID
DTXSID0042244- ChEMBL
CHEMBL389507- ChEBI
CHEBI:31938- UNII
- 89741L759Z
- EC Number
- 208-385-9
- Nikkaji
- J2.063J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 179 ° · 179°
- Boiling point
- 371.13 °C · 371.13°C (rough estimate)
- Density
- 1.2084 · 1.2084 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 28 mg/mL · DMSO : ≥ 28 mg/mL (122.15 mM)
- form
- Solid
- pka
- 8.4 · 8.40±0.30(Predicted)
- color
- White to off-white
- Water Solubility
- 916 mg/L · 916mg/L at 25℃
- InChI
- 1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)
- InChIKey
- LGCMKPRGGJRYGM-UHFFFAOYSA-N
- SMILES
- N(c2ccc(cc2)O)C(=O)c1c(cccc1)O
- LogP
- 2.47 at · 2.47 at 25℃
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
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Osalmid (EC: 208-385-9)
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- wgk
- WGK 3
- Toxicity
- LD50 oral in rat: 6702mg/kg
- risk_code
- 22-36/37/38-42/43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312+P330-P501
Chemistry & industry
Applications
UsesOsalmid is a ribonucleotide reductase small subunit M2 (RRM2) targeting compound; suppresses ribonucleotide reductase activity with an IC50 of 8.23 μM.
Upstream & downstream products
Upstream raw materials
Suppliers75 total
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海金易精细化工有限公司021-52801082 13918092929 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
大连美仑生物技术有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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