CAS 654084-41-0

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 654084-41-0, 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamide;hydrochloride, Schembl726793, Dtxsid80735767, Mfcd23135408, 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamidehydrochloride

Molecular Formula

C₁₄H₂₁Cl₂N₃O₂

Molecular Weight

334.2 g/mol

InChI Key

AGVUBESCBQMUAO-UHFFFAOYSA-N

1 2D Structure

CAS 654084-41-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-5-chloro-2-methoxy-N-(piperidin-4-ylmethyl)benzamide;hydrochloride

2.1.2 InChI

InChI=1S/C14H20ClN3O2.ClH/c1-20-13-7-12(16)11(15)6-10(13)14(19)18-8-9-2-4-17-5-3-9;/h6-7,9,17H,2-5,8,16H2,1H3,(H,18,19);1H

2.1.3 InChI Key

AGVUBESCBQMUAO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=C(C=C1C(=O)NCC2CCNCC2)Cl)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 654084-41-0

2. 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamide;hydrochloride

3. Schembl726793

4. Dtxsid80735767

5. Mfcd23135408

6. 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamidehydrochloride

7. Akos016004342

8. Ds-3741

9. Cs-0150646

10. 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)-benzamide Hydrochloride

11. 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamide Hcl

12. 4-amino-5-chloro-2-methoxy-n-[(piperidin-4-yl)methyl]benzamide--hydrogen Chloride (1/1)

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₁Cl₂N₃O₂
Molecular Weight	334.2 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	333.1010823 g/mol
Monoisotopic Mass	333.1010823 g/mol
Topological Polar Surface Area	76.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	324
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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CAS Number

221180-26-3

End Use API

Cisapride Monohydrate

About the Company

VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...

VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.

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