CAS 866030-35-5

Chemistry, 1 End Use API, 4 Related Intermediates

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Also known as: 866030-35-5, S79dp4snc5, Tert-butyl n-[(1s,3s)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2s,4s)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate, [(1s,3s)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2s, 4s)-tetrahydro-4-(1-methy, 1,1-dimethylethyl n-((1s,3s)-3-((4-methoxy-3-(3-methoxypropoxy)phenyl)methyl)-4-methyl-1-((2s,4s)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl)pentyl)carbamate, Carbamic acid, n-((1s,3s)-3-((4-methoxy-3-(3-methoxypropoxy)phenyl)methyl)-4-methyl-1-((2s,4s)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl)pentyl)-, 1,1-dimethylethyl ester

Molecular Formula

C₃₀H₄₉NO₇

Molecular Weight

535.7 g/mol

InChI Key

CYUJPKOZIGBPOO-IGRGDXOOSA-N

FDA UNII

S79DP4SNC5

1 2D Structure

CAS 866030-35-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate

2.1.2 InChI

InChI=1S/C30H49NO7/c1-19(2)22(15-21-11-12-25(35-9)27(16-21)36-14-10-13-34-8)17-24(31-29(33)38-30(5,6)7)26-18-23(20(3)4)28(32)37-26/h11-12,16,19-20,22-24,26H,10,13-15,17-18H2,1-9H3,(H,31,33)/t22-,23-,24-,26-/m0/s1

2.1.3 InChI Key

CYUJPKOZIGBPOO-IGRGDXOOSA-N

2.1.4 Canonical SMILES

CC(C)C1CC(OC1=O)C(CC(CC2=CC(=C(C=C2)OC)OCCCOC)C(C)C)NC(=O)OC(C)(C)C

2.1.5 Isomeric SMILES

CC(C)[C@@H]1C[C@H](OC1=O)[C@H](C[C@H](CC2=CC(=C(C=C2)OC)OCCCOC)C(C)C)NC(=O)OC(C)(C)C

2.2 Other Identifiers

2.2.1 UNII

S79DP4SNC5

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 866030-35-5

2. S79dp4snc5

3. Tert-butyl N-[(1s,3s)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2s,4s)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate

4. [(1s,3s)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2s, 4s)-tetrahydro-4-(1-methy

5. 1,1-dimethylethyl N-((1s,3s)-3-((4-methoxy-3-(3-methoxypropoxy)phenyl)methyl)-4-methyl-1-((2s,4s)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl)pentyl)carbamate

6. Carbamic Acid, N-((1s,3s)-3-((4-methoxy-3-(3-methoxypropoxy)phenyl)methyl)-4-methyl-1-((2s,4s)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl)pentyl)-, 1,1-dimethylethyl Ester

7. [(1s,3s)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2s,4s)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamic Acid Tert-butyl Ester

8. Intermediate Of Aliskiren

9. Unii-s79dp4snc5

10. Schembl842150

11. Dtxsid60469997

12. [(1s,3s)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2s,4s)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamic Acid 1,1-tert-butyl Ester

13. Mfcd20526612

14. Zinc72131527

15. Akos015994960

16. Akos016007785

17. Ds-4442

18. [(1s,3s)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2s, 4s)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamic Acid 1,1-tert-butyl Ester

19. Ac-28921

20. Cid 11649505

21. Cs-0155178

22. C76822

23. A863116

24. (3s)-3alpha-isopropyl-5beta-[(1s,3s)-1-(tert-butoxycarbonylamino)-3-[3-(3-methoxypropoxy)-4-methoxybenzyl]-4-methylpentyl]tetrahydrofuran-2-one

25. {(1s,3s)-1-((2s,4s)-4-isopropyl-5-oxo-tetrahydrofuran-2-yl)-3-[4-methoxy-3-(3-methoxypropoxy)-benzyl]-4-methyl-pentyl}-carbamic Acid Tert-butyl Ester

26. Tert-butyl {(3s)-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[(2s,4s)-5-oxo-4-(propan-2-yl)oxolan-2-yl]pentyl}carbamate

27. Tert-butyl((1s,3s)-1-((2s,4s)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-3-(4-methoxy-3-(3-methoxypropoxy)benzyl)-4-methylpentyl)carbamate

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₃₀H₄₉NO₇
Molecular Weight	535.7 g/mol
XLogP3	6.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	16
Exact Mass	535.35090290 g/mol
Monoisotopic Mass	535.35090290 g/mol
Topological Polar Surface Area	92.3 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	720
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Inabata France S.A.S

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2-Hydroxypyridine

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Aliskiren

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Established in 1990, Inabata France, a part of the Inabata Group, used to export chemical and pharmaceuti...

Established in 1990, Inabata France, a part of the Inabata Group, used to export chemical and pharmaceutical products to Japan. In 2006, it acquired Pharmasynthèse. Today, Inabata-Pharmasynthèse offers a wide range of services, including sourcing, manufacturing, and the development of raw materials for the pharmaceutical and cosmetic industries. It supplies these ingredients to Europe, Japan, and other countries. With expertise in fine chemical production, Inabata-Pharmasynthèse conducts manufacturing operations, ranging from pilot to commercial quantities, at its GMP-certified facility at St. Pierre-Les-Elbeuf in France.

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Aptra Synthesis

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2-Hydroxypyridine

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142-08-5

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Aliskiren

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Aptra Synthesis Private Limited, is a reliable and vertically integrated manufacturer of APIs and interme...

Aptra Synthesis Private Limited, is a reliable and vertically integrated manufacturer of APIs and intermediates, boasting state-of-the-art manufacturing facilities that adhere to GMP standards. We take great pride in producing top-notch intermediates through our fully backward-integrated process. Aptra Synthesis Private Limited (ASPL) stands as one of the rapidly emerging manufacturers of Active Pharmaceutical Ingredients (APIs), Pellets (Semi-finished Formulations), and Intermediates.

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Dalian Richon Chem

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(R)-4-Benzyl-2-oxazolidinone

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Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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