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Toremifene citrate

CAT: 1410-M16457-03Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M16457-03Size:1 mL x 10 mM in DMSO
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Description
Toremifene Citrate (NK 622; FC 1157a) is a second-generation selective estrogen-receptor modulator (SERM) in development for the prevention of osteoporosis.
CAS Number
89778-27-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
598.08
Molecular Formula
C32H36ClNO8
Notes
Research use only, not for human use.
Receptor
ER

Chemical Information

Toremifene Citrate

Toremifene citrate is a stilbenoid. It has a role as an anticoronaviral agent.

CAS Number89778-27-8
PubChem CID3005572
IUPAC Name2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC32H36ClNO8
Molecular Weight598.1
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count42
Formal Charge0
Complexity710
SMILES
CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;
InChIKey
IWEQQRMGNVVKQW-OQKDUQJOSA-N
Chemical Structure
2D Structure
2D structure of Toremifene Citrate
CAS: 89778-27-8
CID: 3005572
Formula: C32H36ClNO8
MW: 598.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight598.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass597.2129448
Monoisotopic Mass597.2129448
Topological Polar Surface Area145 Ų
Heavy Atom Count42
Formal Charge0
Complexity710
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes