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Chemistry

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Also known as: 1415472-28-4, Enavogliflozin [inn], Z5mr2y1ijj, Dwp-16001, (2s,3r,4r,5s,6r)-2-[7-chloro-6-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol, (1s)-1,5-anhydro-1-c-(7-chloro-6-((4-cyclopropylphenyl)methyl)-2,3-dihydro-4-benzofuranyl)-d-glucitol
Molecular Formula
C24H27ClO6
Molecular Weight
446.9  g/mol
InChI Key
KORCWPOBTZTAFI-YVTYUBGGSA-N
FDA UNII
Z5MR2Y1IJJ

Enavogliflozin
1 2D Structure

Enavogliflozin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,3R,4R,5S,6R)-2-[7-chloro-6-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
2.1.2 InChI
InChI=1S/C24H27ClO6/c25-19-15(9-12-1-3-13(4-2-12)14-5-6-14)10-17(16-7-8-30-23(16)19)24-22(29)21(28)20(27)18(11-26)31-24/h1-4,10,14,18,20-22,24,26-29H,5-9,11H2/t18-,20-,21+,22-,24+/m1/s1
2.1.3 InChI Key
KORCWPOBTZTAFI-YVTYUBGGSA-N
2.1.4 Canonical SMILES
C1CC1C2=CC=C(C=C2)CC3=CC(=C4CCOC4=C3Cl)C5C(C(C(C(O5)CO)O)O)O
2.1.5 Isomeric SMILES
C1CC1C2=CC=C(C=C2)CC3=CC(=C4CCOC4=C3Cl)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
2.2 Other Identifiers
2.2.1 UNII
Z5MR2Y1IJJ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1415472-28-4

2. Enavogliflozin [inn]

3. Z5mr2y1ijj

4. Dwp-16001

5. (2s,3r,4r,5s,6r)-2-[7-chloro-6-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

6. (1s)-1,5-anhydro-1-c-(7-chloro-6-((4-cyclopropylphenyl)methyl)-2,3-dihydro-4-benzofuranyl)-d-glucitol

7. D-glucitol, 1,5-anhydro-1-c-(7-chloro-6-((4-cyclopropylphenyl)methyl)-2,3-dihydro-4-benzofuranyl)-, (1s)-

8. Unii-z5mr2y1ijj

9. Gcc5694a

10. Chembl3703921

11. Schembl14126099

12. Gcc-5694a

13. Gtpl11905

14. Bdbm159529

15. Dwp16001

16. Ex-a5732

17. Compound 14g [pmid: 34813882]

18. Hy-109144

19. Cs-0115960

20. Us9034921, E172

2.4 Create Date
2013-03-21
3 Chemical and Physical Properties
Molecular Weight 446.9 g/mol
Molecular Formula C24H27ClO6
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass446.1496163 g/mol
Monoisotopic Mass446.1496163 g/mol
Topological Polar Surface Area99.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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