Name: Name:Tarafenacin D-tartrate
Brand: Angene
SKU: AG008TJU
Rating: 90 (10 reviews)

Tarafenacin D-tartrate

CAS No.:

1159101-48-0

Catalog Number:

AG008TJU

Molecular Formula:

C25H26F4N2O8

Molecular Weight:

558.4762

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

10mg

99%

1 week

United States

$626

- +

50mg

99%

1 week

United States

$1557

- +

100mg

99%

1 week

United States

$2607

- +

Product Description

Catalog Number:

AG008TJU

Chemical Name:

Tarafenacin D-tartrate

CAS Number:

1159101-48-0

Molecular Formula:

C25H26F4N2O8

Molecular Weight:

558.4762

MDL Number:

MFCD28347505

IUPAC Name:

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]carbamate;(2S,3S)-2,3-dihydroxybutanedioic acid

InChI:

InChI=1S/C21H20F4N2O2.C4H6O6/c22-15-2-1-3-16(10-15)27(11-13-8-17(23)20(25)18(24)9-13)21(28)29-19-12-26-6-4-14(19)5-7-26;5-1(3(7)8)2(6)4(9)10/h1-3,8-10,14,19H,4-7,11-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t19-;1-,2-/m00/s1

InChI Key:

YJBKAMMKXVRSAI-CUCKRJOPSA-N

SMILES:

OC(=O)[C@H]([C@@H](C(=O)O)O)O.Fc1cccc(c1)N(C(=O)O[C@H]1CN2CCC1CC2)Cc1cc(F)c(c(c1)F)F

Properties

Complexity:

697

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

558.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

558.483g/mol

Monoisotopic Mass:

558.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

148A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Microscopic binding of M5 muscarinic acetylcholine receptor with antagonists by homology modeling, molecular docking, and molecular dynamics simulation.	The journal of physical chemistry. B 20120112
In vivo and in vitro pharmacological characterization of SVT-40776, a novel M3 muscarinic receptor antagonist, for the treatment of overactive bladder.	British journal of pharmacology 20090301