CAS 461432-24-6

Chemistry, 2 End Use API, 75 Related Intermediates

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Also known as: 461432-24-6, Methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-d-glucopyranoside, Schembl1551581, Dtxsid601148940, Cs-13058, Cs-0009474

Molecular Formula

C₂₂H₂₇ClO₇

Molecular Weight

438.9 g/mol

InChI Key

GKTWLVVOULBRDU-VEIQOZLZSA-N

1 2D Structure

CAS 461432-24-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

2.1.2 InChI

InChI=1S/C22H27ClO7/c1-3-29-16-7-4-13(5-8-16)10-14-11-15(6-9-17(14)23)22(28-2)21(27)20(26)19(25)18(12-24)30-22/h4-9,11,18-21,24-27H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22?/m1/s1

2.1.3 InChI Key

GKTWLVVOULBRDU-VEIQOZLZSA-N

2.1.4 Canonical SMILES

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3(C(C(C(C(O3)CO)O)O)O)OC)Cl

2.1.5 Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 461432-24-6

2. Methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-d-glucopyranoside

3. Schembl1551581

4. Dtxsid601148940

5. Cs-13058

6. Cs-0009474

7. D-glucopyranoside,methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-

8. Methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]d-glucopyranoside

9. (3r,4s,5s,6r)-2-(3-(4-ethoxybenzyl)-4-chlorophenyl)-6-(hydroxymethyl)-2-methoxy-tetrahydro-2h-pyran-3,4,5-triol

10. (3r,4s,5s,6r)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₇ClO₇
Molecular Weight	438.9 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	438.1445309 g/mol
Monoisotopic Mass	438.1445309 g/mol
Topological Polar Surface Area	109 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	530
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

461432-24-6

End Use API

Dapagliflozin Propanediol Monohydrate

About the Company

Morepen Laboratories Ltd.’ is 31 years old company. Went to public in 1993. Manufacturer and Exporter o...

Morepen Laboratories Ltd.’ is 31 years old company. Went to public in 1993. Manufacturer and Exporter of complex and high margins molecules (APIs/Intermediates) for regulated markets of USA, Europe, Russia, Canada and also for non-regulated markets. The first Morepen manufacturing plant was set up on the foothills of the Himalayas in the idyllic surroundings of Parwanoo. The large and spread-out facility is USDFA approved for manufacture of Loratadine, an anti-allergy drug- internationally known as Claritin.

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(2S,3R,4S,5S,6R)-2-{4-Chloro-3-[(4-Ethoxyphenyl)Methyl]...

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CAS Number

461432-24-6

End Use API

Dapagliflozin

About the Company

SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...

SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.

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