Raloxifene-d4

CAT: 0024-sc-219925Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-219925Size:1 mg

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CAS Number

1185076-44-1

Chemical Information

Raloxifene-d4

CAS Number	1185076-44-1
PubChem CID	25217190
IUPAC Name	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(1,1,2,2-tetradeuterio-2-piperidin-1-ylethoxy)phenyl]methanone
Molecular Formula	C28H27NO4S
Molecular Weight	477.6
XLogP	6.1
Topological Polar Surface Area	98.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	34
Formal Charge	0
Complexity	655

SMILES

[2H]C([2H])(C([2H])([2H])OC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)N5CCCCC5

InChI

InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2/i16D2,17D2

InChIKey

GZUITABIAKMVPG-RZOBCMOLSA-N

Chemical Structure

2D Structure

CAS: 1185076-44-1

CID: 25217190

Formula: C28H27NO4S

MW: 477.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	477.6
XLogP3	6.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	477.19118650
Monoisotopic Mass	477.19118650
Topological Polar Surface Area	98.2 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	655
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
sc-476458	Raloxifene
sc-204230	Raloxifene hydrochloride
sc-222242A	Raloxifene 4'-Glucuronide
sc-222243A	Raloxifene 6-Glucuronide
sc-222242C	Raloxifene 4'-Glucuronide
sc-471729	Raloxifene N-Oxide
sc-222243A-CW	Raloxifene 6-Glucuronide
sc-222243	Raloxifene 6-Glucuronide
sc-222242B	Raloxifene 4'-Glucuronide
sc-488641	4-Hydroxy raloxifene

Alternative Products

Catalog	Name
R1040-01	Raloxifene-d4
CS-O-06913	Raloxifene-d4 Hydrochloride
HY-13738S2	Raloxifene-d4 (hydrochloride)
R1040-02	Raloxifene-d4, Hydrochloride
AR-R01054-01	Raloxifene-d4 HCl
CS-O-30517	Raloxifene-d4 6-Glucuronide
R1040-04	Raloxifene-d4 Bismethyl Ether
464507-01	Raloxifene Dimesylate Hydrochloride-d4
TRC-R100022-5MG	Raloxifene-d4 4’-Glucuronide
HY-135582S	Raloxifene 4'-glucuronide-d4

Raloxifene-d4

Chemical Information

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