Zamifenacin fumarate
Basic information
- CAS
127308-98-9- Standard SMILES
O=C(O)/C=C/C(=O)O.c1ccc(C(O[C@@H]2CCCN(CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1- InChIKey
PMHKTAIGYOVZEZ-ZHWJIHCSSA-N- Molecular formula
- C31H33NO7
- Average molar mass
- 531.6 g/mol
- Monoisotopic mass
- 531.22570239
Names & identifiers
- Preferred name
- Zamifenacin fumarate
- IUPAC
- (3R)-3-benzhydryloxy-1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine;(E)-but-2-enedioic acid
- English name
- Zamifenacinfumarate
- Molecular formula
- C31H33NO7
- Molecular weight
- 531.61
Names & synonyms
ZAMIFENACIN FUMARATE127308-98-9Zamifenacin (fumarate)ZAMIFENACINFUMARATEYCS9BM2UNR(R)-3-(Benzhydryloxy)-1-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)piperidine fumarateUK-76654-2(3R)-3-benzhydryloxy-1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine;(E)-but-2-enedioic acidPiperidine, 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diphenylmethoxy)-, (3R)-, (2E)-2-butenedioate (1:1)UK 76654(R)-3-(Benzhydryloxy)-1-(2-(benzo(d)(1,3)dioxol-5-yl)ethyl)piperidine fumaratePiperidine, 1-(2-(1,3-benzodioxol-5-yl)ethyl)-3-(diphenylmethoxy)-, (3R)-, (2E)-2-butenedioate (1:1)
Show more names
UK-76654 fumarateZamifenacin fumarate, 10 mM in DMSOZamifenacin fumarate, M3 receptor antagonist(3R)-1-[2-(1-,3-Benzodioxol-5-yl)ethyl]-3-(diphenylmethoxy)piperidinefumarategut,UK 76654,bowel,inhibit,Inhibitor,Muscarinic acetylcholine receptor,UK-76654,muscarinic,mAChR,motility,syndrome,irritable,Zamifenacin fumarate,Zamifenacin,UK76654,colonic
UK-76654 (fumarate)C31H33NO7UNII-YCS9BM2UNRorb1308923SCHEMBL3227612HMS3269D09HMS3413H19HMS3677H19
Database identifiers
- CAS
127308-98-9- PubChem CID
- 20056967
- UNII
- YCS9BM2UNR
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 632
Physicochemical properties
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 100 mM · Soluble to 100 mM in DMSO and to 25 mM in ethanol
- form
- Powder
- color
- White to off-white
- FDA UNII
- 9 BM2UNR · YCS9BM2UNR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesZamifenacin Fumarate is a selective antagonist of mAChR M3 (M3 muscarinic receptor).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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