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Ifenprodil tartrate

CAT: 0926-FI65042-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FI65042-01Size:100 mg
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CAS Number
23210-58-4
MDL Number
MFCD00209873
Smiles
CC (C (C1=CC=C (C=C1) O) O) N2CCC (CC2) CC3=CC=CC=C3
Molecular Formula
C21H27NO2
Molecular Weight
800.98 g/mol
Controlled
No

Chemical Information

Ifenprodil Tartrate

Ifenprodil tartrate is a member of piperidines.

CAS Number23210-58-4
PubChem CID656586
IUPAC Namebis(4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol);(2R,3R)-2,3-dihydroxybutanedioic acid
Molecular FormulaC46H60N2O10
Molecular Weight801.0
Topological Polar Surface Area202
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Heavy Atom Count58
Formal Charge0
Complexity487
SMILES
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/2C21H27NO2.C4H6O6/c2*1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17;5-1(3(7)8)2(6)4(9)10/h2*2-10,16,18,21,23-24H,11-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
InChIKey
DMPRDSPPYMZQBT-CEAXSRTFSA-N
Chemical Structure
2D Structure
2D structure of Ifenprodil Tartrate
CAS: 23210-58-4
CID: 656586
Formula: C46H60N2O10
MW: 801.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight801.0
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Exact Mass800.42479611
Monoisotopic Mass800.42479611
Topological Polar Surface Area202 Ų
Heavy Atom Count58
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes