(E) -N, N-Didesmethyl-4-hydroxy tamoxifen

CAT: 0926-UFC92955-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-UFC92955-01Size:1 mg

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CAS Number

1394929-55-5

Smiles

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

Molecular Formula

C24H25NO2

Molecular Weight

359.5 g/mol

Controlled

Chemical Information

(E)-N,N-Didesmethyl-4-hydroxy Tamoxifen

CAS Number	1394929-55-5
PubChem CID	60202715
IUPAC Name	4-[(E)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol
Molecular Formula	C24H25NO2
Molecular Weight	359.5
XLogP	5.8
Topological Polar Surface Area	55.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	453

SMILES

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

InChI

InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+

InChIKey

YCQBLTPGQSYLHD-WCWDXBQESA-N

Chemical Structure

2D Structure

CAS: 1394929-55-5

CID: 60202715

Formula: C24H25NO2

MW: 359.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.5
XLogP3	5.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	359.188529040
Monoisotopic Mass	359.188529040
Topological Polar Surface Area	55.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	453
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
FD21751-01	(E/Z) -N, N-Didesmethyl-4-hydroxy tamoxifen
GDC64332-01	(E/Z) -N, N-Didesmethyl-4-hydroxy tamoxifen 2’-azide
FDA23420-01	N, N-Didesmethyl tamoxifen
FH158367	(E) -4-Hydroxy tamoxifen
MGA07061-01	N-Desmethyl (E) -α-hydroxy tamoxifen
HDA41321-01	(E) -4’-Hydroxy tamoxifen
FH24132-01	(E/Z) -4-Hydroxy tamoxifen
FH24130-01	(E) -3-Hydroxy tamoxifen
CGA76452-01	N-Desmethyl-4-hydroxy tamoxifen β-D-glucuronide
MBC19158-01	(E) -4-Alloxycarboxyl tamoxifen

Catalog	Name
009385	(E) -N, N-Didesmethyl-4-hydroxy Tamoxifen
MBS6057601-01	(E)-N,N-Didesmethyl-4-hydroxy Tamoxifen
TRC-D441120-5MG	(E/Z)-N,N-Didesmethyl-4-hydroxy Tamoxifen
sc-218294-CW	(E/Z) -N, N-Didesmethyl-4-hydroxy Tamoxifen
448040	(E/Z) -N, N-Didesmethyl-4-hydroxy Tamoxifen-d5
TRC-D441122-50MG	(E/Z)-N,N-Didesmethyl-4-hydroxy Tamoxifen-d5
CS-T-89909	N, N-Didesmethyl Tamoxifen
D441200	N,N-Didesmethyl Tamoxifen
AR-T01128-01	Didesmethyl Tamoxifen
TRC-D441125-25MG	(E/Z)-N,N-Didesmethyl-4-hydroxy Tamoxifen 2’-Azide