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CAS 84541-36-6

Chemistry, 1 End Use API, 26 Related Intermediates

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Also known as: 84541-36-6, Chembl555102, 6-methoxy-2-(4-methoxy phenyl)-benzo[b]thien-3-yl][4-[2-(1-[piperidinyl)ethoxy]phenyl]methanone hydrochloride, [6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride, 6-methoxy-2-(4-methoxyphenyl)-3-(4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene hydrochloride, 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene hydrochloride

Molecular Formula

C₃₀H₃₂ClNO₄S

Molecular Weight

538.1 g/mol

InChI Key

MPPNHHUKVJDWQV-UHFFFAOYSA-N

1 2D Structure

CAS 84541-36-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride

2.1.2 InChI

InChI=1S/C30H31NO4S.ClH/c1-33-23-10-8-22(9-11-23)30-28(26-15-14-25(34-2)20-27(26)36-30)29(32)21-6-12-24(13-7-21)35-19-18-31-16-4-3-5-17-31;/h6-15,20H,3-5,16-19H2,1-2H3;1H

2.1.3 InChI Key

MPPNHHUKVJDWQV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 84541-36-6

2. Chembl555102

3. 6-methoxy-2-(4-methoxy Phenyl)-benzo[b]thien-3-yl][4-[2-(1-[piperidinyl)ethoxy]phenyl]methanone Hydrochloride

4. [6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride

5. 6-methoxy-2-(4-methoxyphenyl)-3-(4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene Hydrochloride

6. 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene Hydrochloride

7. Bdbm50471368

8. Akos007930184

9. Hy-135580a

10. Cs-0113547

11. 6-methoxy -2-(4-methoxyphenyl)-3-[4-(2-piperidinylethoxy)benzoyl]benzo[b]thiophene Hydrochloride

12. 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]-benzo[b]thiophene Hydrochloride

13. 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene, Hydrochloride

14. 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidinylethoxy)benzoyl]-benzo[b]thiophene Hydrochloride

2.3 Create Date

2010-05-07

3 Chemical and Physical Properties

Molecular Formula	C₃₀H₃₂ClNO₄S
Molecular Weight	538.1 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	76.2
Heavy Atom Count	37
Formal Charge	0
Complexity	684
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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6-Methoxy-2-(4-Methoxy Phenyl) Benzo(B)Thiophene

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CAS Number

63675-74-1

End Use API

Raloxifene Hydrochloride

About the Company

DKSH, founded with the goal of improving people's lives, assists businesses with market expansion and bus...

DKSH, founded with the goal of improving people's lives, assists businesses with market expansion and business growth in both existing and emerging markets. It has been fostering growth for businesses in Asia and beyond for over 155 years. DKSH operates in 36 markets, is listed on the SIX Swiss Exchange, employs 33,100 specialists, and generated net sales of CHF 11.1 billion in 2021. It is the leading global distributor of innovative pharma ingredients for pharmaceutical synthesis and formulation. It offers a range of products, ranging from animal care products to packaging materials, intermediates to nutraceuticals, and APIs to excipients.