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Zamifenacin

CAT: 0926-CFA30882-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-CFA30882-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
127308-82-1
MDL Number
MFCD00867678
Smiles
CCCN1CCCC1C2=C (N=CC=C2) N3CCN (CC3) C
Molecular Formula
C27H29NO3
Molecular Weight
415.5 g/mol
Controlled
No

Chemical Information

Zamifenacin

(3R)-1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diphenylmethyl)oxypiperidine is a diarylmethane.

CAS Number127308-82-1
PubChem CID3086618
IUPAC Name(3R)-3-benzhydryloxy-1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
Molecular FormulaC27H29NO3
Molecular Weight415.5
XLogP5.6
Topological Polar Surface Area30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity513
SMILES
C1C[C@H](CN(C1)CCC2=CC3=C(C=C2)OCO3)OC(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H29NO3/c1-3-8-22(9-4-1)27(23-10-5-2-6-11-23)31-24-12-7-16-28(19-24)17-15-21-13-14-25-26(18-21)30-20-29-25/h1-6,8-11,13-14,18,24,27H,7,12,15-17,19-20H2/t24-/m1/s1
InChIKey
BDNFQGRSKSQXRI-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of Zamifenacin
CAS: 127308-82-1
CID: 3086618
Formula: C27H29NO3
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass415.21474379
Monoisotopic Mass415.21474379
Topological Polar Surface Area30.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity513
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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