(R)-4-(4-Aminobenzyl)-2-oxazolidinone - CAS 262857-90-9
Catalog: |
BB019226 |
Product Name: |
(R)-4-(4-Aminobenzyl)-2-oxazolidinone |
CAS: |
262857-90-9 |
Synonyms: |
(4R)-4-[(4-aminophenyl)methyl]-2-oxazolidinone; (4R)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one |
IUPAC Name: | (4R)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one |
Description: | (R)-4-(4-Aminobenzyl)-2-oxazolidinone (CAS# 262857-90-9) is a related substance of Zolmitripta(Z639000) which is a serotonin 5HTID-receptor agonist and used to treat migraine (1,2,3). |
Molecular Weight: | 192.21 |
Molecular Formula: | C10H12N2O2 |
Canonical SMILES: | C1C(NC(=O)O1)CC2=CC=C(C=C2)N |
InChI: | InChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)/t9-/m1/s1 |
InChI Key: | WNAVSKJKDPLWBD-SECBINFHSA-N |
Melting Point: | 107-111 °C |
LogP: | 1.14090 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2007135442-A1 | Chroman compounds | 20051104 |
WO-2007053094-A1 | CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS | 20051104 |
EP-0486666-A1 | THERAPEUTIC HETEROCYCLIC COMPOUNDS. | 19900607 |
WO-9118897-A1 | Therapeutic heterocyclic compounds | 19900607 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.089877630 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.089877630 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Oxazole/Thiazole
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