(E) -4’-Hydroxy tamoxifen

CAT: 0926-HDA41321-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-HDA41321-01Size:1 mg

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CAS Number

82413-21-6

Smiles

CCC (=C (C1=CC=CC=C1) C2=CC=C (C=C2) OCCN (C) C) C3=CC=C (C=C3) O

Molecular Formula

C26H29NO2

Molecular Weight

387.5 g/mol

Controlled

Chemical Information

4-[(1E)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-1-phenylbut-1-en-2-yl]phenol

4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]phenol is a stilbenoid.

CAS Number	82413-21-6
PubChem CID	44266354
IUPAC Name	4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]phenol
Molecular Formula	C26H29NO2
Molecular Weight	387.5
XLogP	6.8
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	29
Formal Charge	0
Complexity	493

SMILES

CC/C(=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)OCCN(C)C)/C3=CC=C(C=C3)O

InChI

InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25+

InChIKey

DODQJNMQWMSYGS-OCEACIFDSA-N

Chemical Structure

2D Structure

CAS: 82413-21-6

CID: 44266354

Formula: C26H29NO2

MW: 387.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	387.5
XLogP3	6.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	387.219829168
Monoisotopic Mass	387.219829168
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	493
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	1
Compound Is Canonicalized	Yes

Catalog	Name
FH24132-01	(E/Z) -4-Hydroxy tamoxifen
FH24130-01	(E) -3-Hydroxy tamoxifen
UFC92955-01	(E) -N, N-Didesmethyl-4-hydroxy tamoxifen
MGA07061-01	N-Desmethyl (E) -α-hydroxy tamoxifen
FD21751-01	(E/Z) -N, N-Didesmethyl-4-hydroxy tamoxifen
MBC19158-01	(E) -4-Alloxycarboxyl tamoxifen
BHA67178-01	4-Benzyloxy beta-hydroxy tamoxifen
FT27995-01	(E) -Tamoxifen
GDC64332-01	(E/Z) -N, N-Didesmethyl-4-hydroxy tamoxifen 2’-azide
CGA76452-01	N-Desmethyl-4-hydroxy tamoxifen β-D-glucuronide

Catalog	Name
CS-EK-02307	4-Hydroxy-tamoxifen
sc-210192	4'-Hydroxy Tamoxifen
C4624-1	4’-hydroxy Tamoxifen
AR-T01125-01	4-Hydroxy Tamoxifen
014535	(E) -4’-Hydroxy Tamoxifen
TRC-H954725-5MG	(Z)-4-Hydroxy Tamoxifen
sc-503725	4-Benzyloxy β-Hydroxy Tamoxifen
MBS6043802-01	(E)-4'-Hydroxy Tamoxifen
sc-488277	(E) -4′-Hydroxy tamoxifen
TRC-H954745-10MG	(E)-4’-Hydroxy Tamoxifen