Basic information
- CAS
201010-95-9- Standard SMILES
Cc1ccc2c(=O)c3ccccc3n(CCCN)c2c1C.O=C(O)C(=O)O- InChIKey
IIELZHYJYZBSGG-UHFFFAOYSA-N- Molecular formula
- C20H22N2O5
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.15287181
Names & identifiers
- Preferred name
- ER-27319
- IUPAC
- 10-(3-aminopropyl)-3,4-dimethylacridin-9-one;oxalic acid
- English name
- ER-27319
- Molecular formula
- C22H24N2O5
- Molecular weight
- 396.43636
Names & synonyms
ER-27319201010-95-99(10H)-Acridinone, 10-(3-aminopropyl)-3,4-dimethyl-, ethanedioate (1:1)ER 27319218W96J21810-(3-aminopropyl)-3,4-dimethylacridin-9-oneRefChem:137443UNII-218W96J2183,4-dimethyl-10-(3-aminopropyl)-9-acridone oxalate10-(3-aminopropyl)-3,4-dimethylacridin-9-one;oxalic acidCHEMBL2170739SCHEMBL503354
Show more names
ER 27319 MALEATE10-(3-AMINOPROPYL)-3,4-DIMETHYL-9(10H)-ACRIDINONE MALEATE
orb1944493SCHEMBL29356906SCHEMBL30421082BIA01095DA-73170HY-138961CS-0173509ER-27319, >=98% (HPLC), solid
Database identifiers
- CAS
201010-95-9- PubChem CID
- 9799508
- ChEMBL
CHEMBL2170739- UNII
- 218W96J218
- EC Number
- 683-611-0
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Melting point
- 135 · 135 - 137°C
- storage temp.
- 2 · 2-8°C
- solubility
- 28 mg/mL · DMSO: 28 mg/mL
- form
- solid
- color
- Pale Yellow to Light Yellow
- InChI
- 1S/C18H20N2O.C2H2O4/c1-12-8-9-15-17(13(12)2)20(11-5-10-19)16-7-4-3-6-14(16)18(15)21;3-1(4)2(5)6/h3-4,6-9H,5,10-11,19H2,1-2H3;(H,3,4)(H,5,6)
- InChIKey
- IIELZHYJYZBSGG-UHFFFAOYSA-N
- SMILES
- OC(=O)C(O)=O.Cc1ccc2C(=O)c3ccccc3N(CCCN)c2c1C
- FDA UNII
- 218 W96J218 · 218W96J218
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H302
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 1
- risk_code
- 21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H312-H302
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 Oral
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesER 27319 Maleate is a PLK-1 and Syk inhibitor.
Suppliers9 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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