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CAS 1030825-21-8

Chemistry, 1 End Use API, 34 Related Intermediates

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Also known as: 1030825-21-8, Methyl 1-c-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-d-glucopyranoside, (3r,4s,5s,6r)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol, Methyl 1-c-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-d-glucopyranoside, Methyl 1-c-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-d-glucopyranoside, D-glucopyranoside, methyl 1-c-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-

Molecular Formula

C₂₅H₂₇FO₆S

Molecular Weight

474.5 g/mol

InChI Key

UKGXVMIGVXOCSH-JUIXOQOVSA-N

1 2D Structure

CAS 1030825-21-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4S,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

2.1.2 InChI

InChI=1S/C25H27FO6S/c1-14-3-6-17(25(31-2)24(30)23(29)22(28)20(13-27)32-25)11-16(14)12-19-9-10-21(33-19)15-4-7-18(26)8-5-15/h3-11,20,22-24,27-30H,12-13H2,1-2H3/t20-,22-,23+,24-,25?/m1/s1

2.1.3 InChI Key

UKGXVMIGVXOCSH-JUIXOQOVSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1)C2(C(C(C(C(O2)CO)O)O)O)OC)CC3=CC=C(S3)C4=CC=C(C=C4)F

2.1.5 Isomeric SMILES

CC1=C(C=C(C=C1)C2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)CC3=CC=C(S3)C4=CC=C(C=C4)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1030825-21-8

2. Methyl 1-c-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-d-glucopyranoside

3. (3r,4s,5s,6r)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

4. Methyl 1-c-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-d-glucopyranoside

5. Methyl 1-c-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-d-glucopyranoside

6. D-glucopyranoside, Methyl 1-c-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-

7. Schembl1777596

8. Dtxsid40677371

9. Amy38766

10. Cs-m2282

11. Mfcd21496493

12. Akos025401967

13. Ac-27654

14. Cs-13219

15. F51539

16. A900210

17. 1-(1-methoxyglucopyranosyl)-4-methyl-3-[5-(4-fluorophenyl)-2-thienylmethyl]-benzene

18. D-glucopyranoside,methyl 1-c-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-

19. Methyl 1-c-(3-{[5-(4-fluoro-phenyl)-2-thienyl]methyl}-4-methylphenyl)-d-glucopyranoside

20. Methyl 1-c-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl-4-methylphenyl)-d-lucopyranoside

21. Methyl 1-c-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-d-glucopyranoside

22. Methyl 1-c-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl-4-methylphenyl)-d-glucopyranoside

2.3 Create Date

2010-11-01

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₇FO₆S
Molecular Weight	474.5 g/mol
XLogP3	3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	474.15123791 g/mol
Monoisotopic Mass	474.15123791 g/mol
Topological Polar Surface Area	128 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	634
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

1030825-20-7

End Use API

Canagliflozin

About the Company

KARPSCHEM.SOLUTIONS is an emerging, research-based global pharmaceutical company with a diverse combinati...

KARPSCHEM.SOLUTIONS is an emerging, research-based global pharmaceutical company with a diverse combination of skills, resources, and capabilities that provide a platform from which to perform effectively in today's rapidly changing healthcare environment. Purpose of choosing this business is to provide the most critical service to Pharmaceuticals Industry, in the highly regulatory/scientific environment, impurity/metabolite related issues and impurities/metabolites standards availability are time consuming and sometimes its affects on the project time line.

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