Basic information
- CAS
131543-25-4- Standard SMILES
CS(=O)(=O)O.Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@@H](CN1CCOCC1)CO3- InChIKey
FSGCSTPOPBJYSX-BDQAORGHSA-N- Molecular formula
- C28H30N2O6S
- Average molar mass
- 522.6 g/mol
- Monoisotopic mass
- 522.18245785
Names & identifiers
- Preferred name
- S(-)-WIN 55,212-3 mesylate salt
- IUPAC
- methanesulfonic acid;[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone
- English name
- S(-)-win 55 212-3 mesylate
- Molecular formula
- C27H26N2O3.CH4O3S
- Molecular weight
- 522.61
Names & synonyms
131543-25-4S(-)-WIN 55,212-3 mesylate salt(-)-WIN 55,212-3 (mesylate)(-)-WIN 55,212-3 mesylatemethanesulfonic acid;[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanoneMethanone, [(3S)-2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenyl-, methanesulfonate (1:1)C28H30N2O6SHMS3268N06S(-)-WIN-55212-3 Mesylate(S)-(-)-WIN 55,212 MESYLATEWIN 552,12-3 MesylateDTXSID70469448
Show more names
WIN 55,212-3 MESYLATE(?)-WIN 55,212-3 mesylateFSGCSTPOPBJYSX-BDQAORGHSA-NS(-)-[2,3-Dihydro-5-methyl-3-[(4-morpholinyl)methyl]pyrrolo[1,2,3-de]-1,4-benzoxazinyl]-(1-naphthalenyl)methanone mesylate salt[(3S)-2,3-Dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenyl-methanonemonomethanesulfonate[(3S)-2,3-DIHYDRO-5-METHYL-3-(4-MORPHOLINYLMETHYL)PYRROLO[1,2,3-DE]-1,4-BENZOXAZIN-6-YL]-1-NAPHTHALENYL-METHANONE MONOMETHANESULFONATE
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 772
Physicochemical properties
- storage temp.
- 4 °C · Store at +4°C
- solubility
- 45 % · 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 2.4 mg/mL
- form
- solid
- color
- off-white
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesWIN 552,12-3 Mesylate is a high affinity cannabinoid agonist.
Suppliers6 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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