![Chemical structure of Methanone, [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-,hydrochloride (1:1), CAS 82640-04-8](https://api.angenesci.com/structure/3248/82640-04-8.png)
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| CAS Number | 82640-04-8 |
| Catalog Number | AG003AAG(AGN-PC-0UMQ1D) |
| Chemical Name | Methanone, [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-,hydrochloride (1:1) |
| IUPAC Name | [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride |
| InChI | InChI=1S/C28H27NO4S.ClH/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;1H |
| InChI Key | BKXVVCILCIUCLG-UHFFFAOYSA-N |
| MDL Number | MFCD01938233 |
| Molecular Formula | C28H28ClNO4S |
| Molecular Weight | 510.0442 |
| SMILES | Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2 |
| UNII | 4F86W47BR6 |
| Synonyms | Evista,
Keoxifene,
Keoxifene Hydrochloride,
LY 139481,
LY 156758,
LY-139481,
LY-156758,
LY139481,
LY156758,
Raloxifene,
Raloxifene HCl,
Raloxifene Hydrochloride,
RALOXIFENE HYDROCHLORIDE,
82640-04-8,
Raloxifene Hcl,
Evista,
Keoxifene hydrochloride,
Keoxifene,
(6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone hydrochloride,
LY 156758,
Raloxifene (hydrochloride),
UNII-4F86W47BR6,
CHEBI:50740,
Evista (Raloxifene Hydrochloride),
4F86W47BR6,
Optruma,
MFCD01938233,
LY-156758,
6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride,
C28H28ClNO4S,
DSSTox_CID_14181,
DSSTox_RID_79119,
DSSTox_GSID_34181,
[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone hydrochloride,
2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol hydrochloride,
2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}-1-benzothiophen-6-ol hydrochloride,
Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride,
SMR000058508,
NCGC00015889-05,
CAS-82640-04-8,
Loxifen,
SR-01000076102,
Keoxifene HCl,
CDT-Raloxifene,
Raloxifene hydrochloride [USAN],
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride,
Evista (TN),
Prestwick_1035,
Raloxifene hydrochloride [USAN:USP],
LY156758,
Methanone, hydrochloride,
LY156758 hydrochloride,
AC1L1HY9,
AC1Q3F5K,
C28H27NO4S.HCl,
Study Drug, raloxifene HCI,
CHEMBL1116,
SCHEMBL19077,
MLS000859902,
MLS001332533,
MLS001332534,
MLS002222293,
Raloxifene hydrochloride, solid,
Evista, Raloxifene hydrochloride,
DTXSID1034181,
LY156758 (Keoxifene) HCl,
CTK7J9865,
KS-00000JPS,
LY-139481 HCl,
BKXVVCILCIUCLG-UHFFFAOYSA-N,
HMS1570N05,
Pharmakon1600-01505622,
BCP05713,
Raloxifene hydrochloride (JAN/USP),
Tox21_110255,
Tox21_302369,
Tox21_501051,
ANW-54600,
HY-13738A,
NSC706725,
NSC759285,
s1227,
AKOS008131940,
Tox21_110255_1,
AC-8390,
AN-8061,
CCG-213497,
CS-1775,
DS-2162,
KS-1102,
LP01051,
MCULE-7336063262,
NC00665,
NSC-706725,
NSC-759285,
RP17875,
VA11647,
NCGC00015889-03,
NCGC00015889-11,
NCGC00092353-01,
NCGC00092353-03,
NCGC00094334-01,
NCGC00094334-02,
NCGC00255153-01,
NCGC00261736-01,
4CA-1076,
AK-54611,
BC209548,
CPD000058508,
LS-91271,
SAM002548975,
SC-20043,
AB0020647,
TC-063566,
EU-0101051,
FT-0630912,
R0109,
ST24020666,
SW197106-5,
V1611,
EN300-52517,
D02217,
J90021,
M-8965,
R 1402,
68523-EP2270008A1,
68523-EP2292617A1,
68523-EP2298768A1,
68523-EP2308855A1,
640R048,
I06-1061,
I14-1208,
Q-201656,
SR-01000076102-2,
SR-01000076102-9,
Raloxifene hydrochloride, European Pharmacopoeia (EP) Reference Standard,
Raloxifene Hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material,
Raloxifene hydrochloride, United States Pharmacopeia (USP) Reference Standard,
(6-OH-2-(4-OH-Ph)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)Ph)methanone hydrochloride,
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone hydrochloride,
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone hydrochloride,
[6-hydroxy-2-(4-hydroxyphenyl)-benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-methanone hydrochloride,
[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-methanone hydrochloride,
[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone Hydrochloride,
[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone hydrochloride,
[6-hydroxy-2[4-hydroxyphenyl)benzo [b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone hydrochloride,
[6-hydroxy-2[4-hydroxyphenyl)benzo [b]thien3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone hydrochloride,
[6-hydroxy-2[4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone hydrochloride,
1-[2-(4-{[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]carbonyl}phenoxy)ethyl]piperidinium chloride,
6-hydroxy-2-(4-hydroxyphenyl)-3-[ 4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene, hydrochloride,
6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]-benzo[b]-thiophene hydrochloride,
6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]-benzo[b]thiophene hydrochloride,
6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl 4-[2-(1-piperidinyl)ethoxy]phenyl methanone hydrochloride,
6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl 4-[2-(1-piperidinyl)ethoxy]phenyl ketone hydrochloride,
Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl) (4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride,
Methanone, [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-,hydrochloride (1:1),
Raloxifene hydrochloride for peak identification, European Pharmacopoeia (EP) Reference Standard,
raloxifene,
Raloxifene Teva,
C28H27NO4S.ClH,
cc-148,
CID54900,
C28-H27-N-O4-S.Cl-H,
LY 139481,
CS-T-41448,
LY-139481,
LY139481,
B1515,
A10375,
D020849,
84449-90-1,
(6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-methanone hydrochloride,
Metanona, [6-hidroxi-2-(4-hidroxifenil) benzo [b] Tien-3-il] [4-[2-(1-piperidinil) etoxi] fenil]-, clorhidrato (1:1),
|
| Complexity | 655 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 509.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 510.045g/mol |
| Monoisotopic Mass | 509.143g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 98.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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