Thiopilocarpine phosphate
Basic information
- CAS
117707-51-4- Standard SMILES
CC[C@@H]1C(=O)SC[C@@H]1Cc1cncn1C.O=P(O)(O)O- InChIKey
PSRPKRDUWXFVQS-GNAZCLTHSA-N- Molecular formula
- C11H19N2O5PS
- Average molar mass
- 322.32 g/mol
- Monoisotopic mass
- 322.07522988
Overview
See also: Sdz ens 163 (annotation moved to).
Names & identifiers
- Preferred name
- Thiopilocarpine phosphate
- IUPAC
- (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one;phosphoric acid
- English name
- ENS-163 (phosphate)
- Molecular formula
- C11H16N2OS.H3O4P
- Molecular weight
- 322.32
Names & synonyms
117707-51-4Thiopilocarpine phosphateHZ0DY0JLD8SDZ-ENS-163UNII-HZ0DY0JLD8ENS-213163(+)-(3S,CIS)-3-ETHYLDIHYDRO-4-((1-METHYL-LH-IMIDAZOL-5-YL)METHYL-2(3H)-THIPHENONEDIHYDROGENPHOSPHATE)2(3H)-THIOPHENONE, 3-ETHYLDIHYDRO-4-((1-METHYL-1H-IMIDAZOL-5-YL)METHYL)-, (3S,4R)-, PHOSPHATE (1:1)RefChem:203288ENS-163 phosphateThiopilocarpine(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one;phosphoric acid
Show more names
ENS-163 (phosphate)Sandoz ENS 163 phosphateENS163 phosphate,ENS 163 phosphate
(3S,4R)-3-Ethyl-4-((1-methyl-1H-imidazol-5-yl)methyl)dihydrothiophen-2(3H)-one phosphateEns 213-163orb1709759SCHEMBL10384531DTXSID90922525SDZ-163HY-U00038AKOS030531906
Database identifiers
- CAS
117707-51-4- PubChem CID
- 189508
- DTXSID
DTXSID90922525
Properties
Computed structural properties
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- FDA UNII
- 0 DY0JLD8 · HZ0DY0JLD8
Chemistry & industry
Applications
UsesENS-163 phosphate is a selective muscarinic M1 receptor agonist.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…