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Toremifene

CAT: 1299-RM-T151800-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T151800-01Size:10 mg
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CAS Number
89778-26-7
Synonyms
(Z) -2- (4- (4-chloro-1,2-diphenylbut-1-en-1-yl) phenoxy) -N, N-dimethylethanamine
Molecular Formula
C26H28ClNO
Molecular Weight
405.96
Target Alternative Name
Toremifene
Product Name Synonym
(Z) -2- (4- (4-chloro-1,2-diphenylbut-1-en-1-yl) phenoxy) -N, N-dimethylethanamine

Chemical Information

Toremifene

Toremifene is a tertiary amine, an aromatic ether and an organochlorine compound. It has a role as an antineoplastic agent, a bone density conservation agent, an estrogen receptor modulator and an estrogen antagonist. It derives from a hydride of a stilbene.

CAS Number89778-26-7
PubChem CID3005573
IUPAC Name2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
Molecular FormulaC26H28ClNO
Molecular Weight406.0
XLogP7.2
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity483
SMILES
CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3
InChI
InChI=1S/C26H28ClNO/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/h3-16H,17-20H2,1-2H3/b26-25-
InChIKey
XFCLJVABOIYOMF-QPLCGJKRSA-N
Chemical Structure
2D Structure
2D structure of Toremifene
CAS: 89778-26-7
CID: 3005573
Formula: C26H28ClNO
MW: 406.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.0
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass405.1859422
Monoisotopic Mass405.1859422
Topological Polar Surface Area12.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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467735-01Toremifene
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TRC-T547490-5MG(E)-Toremifene
CS-T-103571Toremifene-d4
HY-B0005-01Toremifene (citrate)

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