UK-9040
Basic information
- CAS
47453-14-5- Standard SMILES
CC(C)(C)Cc1ccc(/C(=C\CCN2CCCC2)c2ccccc2)s1- InChIKey
HZZXGWBOCXDVLV-MTJSOVHGSA-N- Molecular formula
- C23H31NS
- Average molar mass
- 353.6 g/mol
- Monoisotopic mass
- 353.21772117
Overview
analog of conventional antihistaminics & powerful inhibitor of gastric acid secretion; structure
Names & identifiers
- Preferred name
- UK-9040
- IUPAC
- 1-[(Z)-4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-4-phenylbut-3-enyl]pyrrolidine
- English name
- 1-[(Z)-4-[5-(2,2-Dimethylpropyl)-2-thienyl]-4-phenyl-3-butenyl]pyrrolidine
- Molecular weight
- 0
Names & synonyms
UK-904047453-14-5UK 9040cis-1-(5-Neopentyl-2-thienyl)-1-phenyl-4-pyrrolidinobut-1-eneJF96CC1R0TPyrrolidine, 1-(4-(5-(2,2-dimethylpropyl)-2-thienyl)-4-phenyl-3-butenyl)-, (Z)-RefChem:1929751-[(Z)-4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-4-phenylbut-3-enyl]pyrrolidine1-[(Z)-4-[5-(2,2-Dimethylpropyl)-2-thienyl]-4-phenyl-3-butenyl]pyrrolidineUNII-JF96CC1R0Torb1699059AKOS040749710
Show more names
HY-123421T29056PHENYL-1-(5-NEOPENTYL-2-THIENYL)-4-PYRROLIDINOBUT-1-ENE, (Z)-1-1-((3Z)-4-(5-(2,2-DIMETHYLPROPYL)-2-THIENYL)-4-PHENYL-3-BUTEN-1-YL)PYRROLIDINEPYRROLIDINE, 1-((3Z)-4-(5-(2,2-DIMETHYLPROPYL)-2-THIENYL)-4-PHENYL-3-BUTEN-1-YL)-
Database identifiers
- CAS
47453-14-5- PubChem CID
- 6442702
- UNII
- JF96CC1R0T
- Nikkaji
- J395.304A
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- FDA UNII
- 96 CC1R0T · JF96CC1R0T
Chemistry & industry
Applications
UsesUK-9040, a derivative of the antihistamine Triprolidine (HY-B1808), is an orally active inhibitor of gastric secretory. UK-9040 reduces gastric acid, pepsin, and volume output in response to food, Insulin (HY-P0035), Histamine (HY-B1204), N-methyl histamine, and Pentagastrin (HY-A0261)[1].
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Compound notes
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