CAS 1247119-33-0

Chemistry, 1 End Use API, 7 Related Intermediates

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Also known as: 1247119-33-0, 1,3-thiazol-5-ylmethyl n-[(2r,5r)-5-amino-1,6-diphenylhexan-2-yl]carbamate;hydrochloride, N-[(1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl]carbamic acid 5-thiazolylmethyl ester hcl, Carbamic acid, n-[(1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester, hydrochloride (1:1), 5-thiazolylmethyl [(2r,5r)-5-amino-1,6-diphenyl-2-hexyl]carbamate hydrochloride, N-((1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl)carbamic acid 5-thiazolylmethyl ester hydrochloride

Molecular Formula

C₂₃H₂₈ClN₃O₂S

Molecular Weight

446.0 g/mol

InChI Key

UPZSMWCRMXVNOX-MUCZFFFMSA-N

1 2D Structure

CAS 1247119-33-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-amino-1,6-diphenylhexan-2-yl]carbamate;hydrochloride

2.1.2 InChI

InChI=1S/C23H27N3O2S.ClH/c24-20(13-18-7-3-1-4-8-18)11-12-21(14-19-9-5-2-6-10-19)26-23(27)28-16-22-15-25-17-29-22;/h1-10,15,17,20-21H,11-14,16,24H2,(H,26,27);1H/t20-,21-;/m1./s1

2.1.3 InChI Key

UPZSMWCRMXVNOX-MUCZFFFMSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CC(CCC(CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)N.Cl

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1247119-33-0

2. 1,3-thiazol-5-ylmethyl N-[(2r,5r)-5-amino-1,6-diphenylhexan-2-yl]carbamate;hydrochloride

3. N-[(1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl]carbamic Acid 5-thiazolylmethyl Ester Hcl

4. Carbamic Acid, N-[(1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl Ester, Hydrochloride (1:1)

5. 5-thiazolylmethyl [(2r,5r)-5-amino-1,6-diphenyl-2-hexyl]carbamate Hydrochloride

6. N-((1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl)carbamic Acid 5-thiazolylmethyl Ester Hydrochloride

7. N-[(1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl]carbamic Acid 5-thiazolylmethyl Ester Hydrochloride

8. Ec 700-848-8

9. Thiazol-5-ylmethyl (2r,5r)-5-amino-1,6-diphenylhexan-2-ylcarbamate Hydrochloride

10. Ac9025

11. Akos027427069

12. 1,3-thiazol-5-ylmethyl N-[(2r,5r)-5-amino-1,6-diphenylhexan-2-yl]carbamate,hydrochloride

13. Ac-28963

14. Carbamic Acid, N-((1r,4r)-4-amino-5-phenyl-1-(phenylmethyl)pentyl)-, 5-thiazolylmethyl Ester, Hydrochloride

15. Db-110595

16. A854810

17. J-522732

18. Thiazol-5-ylmethyl N-((2r,5r)-5-amino-1,6-diphenylhexan-2-yl)carbamate Hydrochloride

19. (1,3-thiazol-5-yl)methyl N-[(2r,5r)-5-amino-1,6-diphenylhexan-2-yl]carbamate Hydrochloride

2.3 Create Date

2013-06-10

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₈ClN₃O₂S
Molecular Weight	446.0 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	106
Heavy Atom Count	30
Formal Charge	0
Complexity	467
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	2

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CAS Number

1247119-33-0

End Use API

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About the Company

Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technolog...

Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technology development and industrialization. We provide intermediates from gram scale to hundreds of Kg to domestic and abroad customers in pharmaceutical area. The R&D center occupies around 3,000m2, equipped with gram scale labs, pilot labs, analysis center, safety assessment lab and platform for flow chemistry. The company has successfully developed more than 60 projects. The main products of Telmisartan intermediates widely win good reputation in markets.

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