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CAS 809282-20-0

Chemistry, 2 End Use API, 5 Related Intermediates

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Also known as: 809282-20-0, (2r,3s)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol, (2s,3r)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methyl pentan-3-ol, (2s,3r)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol, Schembl669921, Bcp14031

Molecular Formula

C₁₅H₂₅NO₂

Molecular Weight

251.36 g/mol

InChI Key

PZNRRUTVGXCKFC-SWLSCSKDSA-N

1 2D Structure

CAS 809282-20-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3R)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol

2.1.2 InChI

InChI=1S/C15H25NO2/c1-6-15(17,12(2)11-16(3)4)13-8-7-9-14(10-13)18-5/h7-10,12,17H,6,11H2,1-5H3/t12-,15+/m0/s1

2.1.3 InChI Key

PZNRRUTVGXCKFC-SWLSCSKDSA-N

2.1.4 Canonical SMILES

CCC(C1=CC(=CC=C1)OC)(C(C)CN(C)C)O

2.1.5 Isomeric SMILES

CC[C@](C1=CC(=CC=C1)OC)([C@@H](C)CN(C)C)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 809282-20-0

2. (2r,3s)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol

3. (2s,3r)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methyl Pentan-3-ol

4. (2s,3r)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol

5. Schembl669921

6. Bcp14031

7. Cs-m0175

8. Mfcd24843216

9. Zinc33979436

10. Akos025401813

11. Ac-25871

12. As-30124

13. Ft-0699880

14. A852283

15. (2s,3r)-1-dimethylamino-3-(3-methoxyphenyl)-2-methylpentan-3-ol

16. (2s, 3r)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methyl-pentan-3-ol

17. (2s,3s)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₅NO₂
Molecular Weight	251.36 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	251.188529040 g/mol
Monoisotopic Mass	251.188529040 g/mol
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	245
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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3-Methoxy Propiphenone

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CAS Number

37951-49-8

End Use API

Tapentadol

About the Company

Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as ...

Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as well Global market as a reliable partner. We are very much concern with the Quality of our Product, Services, Employee as well the social belonging. Our main strength is our People, who are highly motivated and reflect a perfect blend of Zeal and Commitment. We are committed to satisfy the needs of the customer and Proactive with the solutions of extended needs of the Customer. We are in the serve of Nation over a Decade and renowned by receiving an Award of Udyog Patra in year 2005.

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