N-Desmethyl (E) -α-Hydroxy Tamoxifen

CAT: 0024-sc-499795Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-499795Size:10 mg

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CAS Number

162070-61-3

Chemical Information

alpha-Hydroxy-N-desmethyltamoxifen

Alpha-Hydroxy-N-desmethyltamoxifen is a stilbenoid.

CAS Number	162070-61-3
PubChem CID	10474509
IUPAC Name	(E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol
Molecular Formula	C25H27NO2
Molecular Weight	373.5
XLogP	5.4
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	28
Formal Charge	0
Complexity	469

SMILES

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

InChI

InChI=1S/C25H27NO2/c1-19(27)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-13-15-23(16-14-22)28-18-17-26-2/h3-16,19,26-27H,17-18H2,1-2H3/b25-24-

InChIKey

GREXPZNIZPCGIV-IZHYLOQSSA-N

Chemical Structure

2D Structure

CAS: 162070-61-3

CID: 10474509

Formula: C25H27NO2

MW: 373.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	373.5
XLogP3	5.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	373.204179104
Monoisotopic Mass	373.204179104
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	469
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-207605	(E) -4-Hydroxy-N-desmethyl Tamoxifen
sc-212199	N-Desmethyl-4'-hydroxy Tamoxifen
sc-219139	N-Desmethyl-4-hydroxy Tamoxifen β-D-Glucuronide (E/Z Mixture)
sc-212193B	N-Desmethyl Tamoxifen Hydrochloride
sc-212193C	N-Desmethyl Tamoxifen Hydrochloride
sc-212193	N-Desmethyl Tamoxifen Hydrochloride
sc-208032	N-Desmethyl-4-hydroxy Tamoxifen (approx. 1:1 E/Z Mixture)
sc-219132	N-Desmethyl Tamoxifen Methanethiosulfonate
sc-212193A	N-Desmethyl Tamoxifen Hydrochloride
sc-219140	N-Desmethyl-4-hydroxy Tamoxifen-d5 (1:1 E/Z Mixture)

Catalog	Name
CS-T-88950	N-Desmethyl-4â-hydroxy Tamoxifen
TRC-D292041-1MG	N-Desmethyl-4’-hydroxy Tamoxifen
MGA07061-01	N-Desmethyl (E) -α-hydroxy tamoxifen
AR-T01129-01	4-Hydroxy-N-Desmethyl Tamoxifen
MBS6083198-01	N-Desmethyl-4'-hydroxy Tamoxifen
CS-T-27133	(Z) -4-Hydroxy-N-Desmethyl Tamoxifen
013645	(E) -4-Hydroxy-N-desmethyl Tamoxifen
TRC-H938495-1MG	(E)-4-Hydroxy-N-desmethyl Tamoxifen
AR-T01135-01	4-Hydroxy-N-Desmethyl Tamoxifen-d5
TRC-D292240-25MG	N-Desmethyl (E)-alpha-Hydroxy Tamoxifen