(S)-4-(4-Aminobenzyl)-2(1H)-oxazolidinone - CAS 152305-23-2
Catalog: |
BB010774 |
Product Name: |
(S)-4-(4-Aminobenzyl)-2(1H)-oxazolidinone |
CAS: |
152305-23-2 |
Synonyms: |
(4S)-4-[(4-aminophenyl)methyl]-2-oxazolidinone; (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one |
IUPAC Name: | (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one |
Description: | An intermediate of Zolmitriptan, as a novel inhibitor of the cytochrome P-450 enzyme aromatase. Zolmitriptan USP Related Compound G. |
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-/m0/s1 |
InChI Key: | WNAVSKJKDPLWBD-VIFPVBQESA-N |
Boiling Point: | 479.7 °C at 760 mmHg |
Melting Point: | 110 °C |
Purity: | ≥ 98 % |
Density: | 1.257 g/cm3 |
Solubility: | Soluble in dimethyl sulfoxide and methanol. |
Appearance: | Powder or crystals |
Storage: | Room temperature. |
MDL: | MFCD03411476 |
LogP: | 1.82970 |
GHS Hazard Statement: | H302 (90.91%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110003129-B | Preparation method of zolmitriptan intermediate | 20190418 |
CN-103275075-A | Zolmitriptan and preparation method thereof | 20130624 |
CN-103275075-B | Zolmitriptan and preparation method thereof | 20130624 |
EP-2751098-A2 | An improved process for preparation of zolmitriptan | 20110902 |
EP-2751098-B1 | An improved process for preparation of zolmitriptan | 20110902 |
PMID | Publication Date | Title | Journal |
20582203 | 20100101 | A new stability indicating HPLC method for related substances in zolmitriptan | Indian journal of pharmaceutical sciences |
15740903 | 20050309 | A validated chiral LC method for the determination of zolmitriptan and its potential impurities | Journal of pharmaceutical and biomedical analysis |
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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