rac Timolol-d5 Maleate
Basic information
- CAS
1217260-21-3- Standard SMILES
O=C(O)/C=C\C(=O)O.[2H]C([2H])(NC(C)(C)C)C([2H])(O)C([2H])([2H])Oc1nsnc1N1CCOCC1- InChIKey
WLRMANUAADYWEA-RJAXMONVSA-N- Molecular formula
- C17H28N4O7S
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 437.19925415
Names & identifiers
- Preferred name
- rac Timolol-d5 Maleate
- IUPAC
- (Z)-but-2-enedioic acid;1-(tert-butylamino)-1,1,2,3,3-pentadeuterio-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
- English name
- WLRMANUAADYWEA-RJAXMONVSA-N
- Molecular formula
- C17H23D5N4O7S
- Molecular weight
- 437.52262889
Names & synonyms
rac Timolol-d5 Maleate1217260-21-3(Z)-but-2-enedioic acid;1-(tert-butylamino)-1,1,2,3,3-pentadeuterio-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-olTimolol-d5 Maleaterac-Timolol-d5 maleateDTXSID301355077MSK10073D5rac-Timolol-1,1,2,3,3-d5 maleateDA-67093rac-Timolol-1,1,2,3,3-d5 maleate, >=98 atom % D, >=98% (CP)D5- (±)-Timolol Maleate[2H5]- (±)-Timolol Maleate
Show more names
WLRMANUAADYWEA-RJAXMONVSA-N
Database identifiers
- CAS
1217260-21-3- PubChem CID
- 46783095
- DTXSID
DTXSID301355077
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- SMILES
- CC(C)(C)NC([2H])([2H])C(O)([2H])C([2H])([2H])OC1=NSN=C1N2CCOCC2.OC(/C=C\C(O)=O)=O
- UNSPSC Code
- 12352005 · 12352005
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesAntihypertensive; antiarrhythmic (class II); antianginal; antiglaucoma agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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