Enavogliflozin

Synopsis, 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

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 Formula	C₂₄H₂₇ClO₆
Molecular Weight	446.9 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	446.1496163 g/mol
Monoisotopic Mass	446.1496163 g/mol
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	609
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1