Timolol EP Impurity E Maleate
Basic information
- CAS
3077786-31-0- Standard SMILES
CC(C)(C)NC[C@@H](COc1nsnc1N1CCOCC1)OC(=O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O- InChIKey
DCPZACPWKJJABK-QHVHSYJJSA-N- Molecular formula
- C21H30N4O10S
- Average molar mass
- 530.6 g/mol
- Monoisotopic mass
- 530.16826434
Names & identifiers
- Preferred name
- Timolol EP Impurity E Maleate
- IUPAC
- (Z)-but-2-enedioic acid;(Z)-4-[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl]oxy-4-oxobut-2-enoic acid
Names & synonyms
P4CV2J8D5BTimolol EP Impurity E MaleateTimolol maleate ester monomaleateTimolol Related Compound E [USP-RS](S, Z)-4-({1-(tert-Butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl}oxy)-4-oxobut-2-enoic acid maleate salt (1:1)2-Butenedioic acid (2Z)-, 1-[(1S)-1-[[(1,1-dimethylethyl)amino]methyl]-2-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]ethyl] ester, (2Z)-2-butenedioate (1:1)3077786-31-0
Database identifiers
- CAS
3077786-31-0- PubChem CID
- 175674212
- UNII
- P4CV2J8D5B
Properties
Computed structural properties
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 669
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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