Dapagliflozin C2 epimer

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H25ClO6
Molecular Weight	408.873
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)C=C1

InChI

InChIKey=JVHXJTBJCFBINQ-MJCUULBUSA-N

InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H25ClO6
Molecular Weight	408.873
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:54:15 GMT 2023` Edited by `admin` on `Sat Dec 16 19:54:15 GMT 2023`
Record UNII	WK33WFE47M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dapagliflozin C2 epimer

Common Name

English

D-Mannitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, (1S)-

Systematic Name

English

(2S,3S,4R,5S,6R)-2-{4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol

Systematic Name

English

(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-mannitol

Systematic Name

English

Code System Code Type Description

FDA UNII

WK33WFE47M

Created by admin on Sat Dec 16 19:54:15 GMT 2023 , Edited by admin on Sat Dec 16 19:54:15 GMT 2023

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CAS

2133407-75-5

Created by admin on Sat Dec 16 19:54:15 GMT 2023 , Edited by admin on Sat Dec 16 19:54:15 GMT 2023

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PUBCHEM

57519518

Created by admin on Sat Dec 16 19:54:15 GMT 2023 , Edited by admin on Sat Dec 16 19:54:15 GMT 2023

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