Toremifene Citrate

CAT: 1596-AR-T06364-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T06364-01Size:10 Units

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CAS Number

89778-27-8

Synonyms

(Z) -2- (4- (4-Chloro-1,2-diphenylbut-1-en-1-yl) phenoxy) -N, N-dimethylethan-1-amine, citrate (1:1)

Molecular Formula

C26H28ClNO; C6H8O7

Molecular Weight

405.97; 192.12

API Name

Toremifene

Chemical Information

Toremifene Citrate

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

CAS Number	89778-27-8
PubChem CID	3005572
IUPAC Name	2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular Formula	C32H36ClNO8
Molecular Weight	598.1
Topological Polar Surface Area	145
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	14
Heavy Atom Count	42
Formal Charge	0
Complexity	710

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

CAS: 89778-27-8

CID: 3005572

Formula: C32H36ClNO8

MW: 598.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	598.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	14
Exact Mass	597.2129448
Monoisotopic Mass	597.2129448
Topological Polar Surface Area	145 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	710
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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AR-T02701-01	Toremifene N-Oxide
AR-T02703-01	Toremifene Impurity 2
AR-T06309-01	Toremifene Dimer Impurity
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Catalog	Name
290224-01	Toremifene citrate
HY-B0005-01	Toremifene (citrate)
HY-B0005S	Toremifene-d6 (citrate)
TRC-T547502-10MG	Toremifene-d6 Citrate
A10940-500	Toremifene citrate 500mg
A10940-100	Toremifene citrate 100mg
HY-B0005R-01	Toremifene (citrate) (Standard)

Toremifene Citrate

Chemical Information

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