Solifenacin

CAT: 0127-OR1029754-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1029754-01Size:250 mg

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CAS Number

242478-37-1

Synonyms

[ (3R) -1-azabicyclo[2.2.2]octan-3-yl] (1S) -1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Purity

98%

Smiles

C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5

Chemical Information

Solifenacin

Solifenacin is a member of isoquinolines.

CAS Number	242478-37-1
PubChem CID	154059
IUPAC Name	[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular Formula	C23H26N2O2
Molecular Weight	362.5
XLogP	4
Topological Polar Surface Area	32.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	524

SMILES

C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5

InChI

InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1

InChIKey

FBOUYBDGKBSUES-VXKWHMMOSA-N

Chemical Structure

2D Structure

CAS: 242478-37-1

CID: 154059

Formula: C23H26N2O2

MW: 362.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	362.5
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	362.199428076
Monoisotopic Mass	362.199428076
Topological Polar Surface Area	32.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	524
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes