CANAGLIFLOZIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C24H25FO5S.H2O
Molecular Weight	907.047
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CANAGLIFLOZIN

Structure Search

SMILES

O.CC1=CC=C(C=C1CC2=CC=C(S2)C3=CC=C(F)C=C3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O.CC5=CC=C(C=C5CC6=CC=C(S6)C7=CC=C(F)C=C7)[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O

InChI

InChIKey=VHOFTEAWFCUTOS-TUGBYPPCSA-N

InChI=1S/2C24H25FO5S.H2O/c2*1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14;/h2*2-10,19,21-24,26-29H,11-12H2,1H3;1H2/t2*19-,21-,22+,23-,24+;/m11./s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C24H25FO5S
Molecular Weight	444.516
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 `Fri Dec 15 16:07:11 UTC 2023` Edited by `admin` on `Fri Dec 15 16:07:11 UTC 2023`
Record UNII	0SAC974Z85
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CANAGLIFLOZIN

Official Name

English

INVOKAMET COMPONENT CANAGLIFLOZIN

Brand Name

English

Canagliflozin hemihydrate [WHO-DD]

Common Name

English

CANAGLIFLOZIN [VANDF]

Common Name

English

CANAGLIFLOZIN HYDRATE

Common Name

English

CANAGLIFLOZIN HEMIHYDRATE

Common Name

English

INVOKANA

Brand Name

English

(1S)-1,5-ANHYDRO-1-C-(3-((5-(4-FLUOROPHENYL)THIOPHEN-2-YL)METHYL)-4-METHYLPHENYL)-D- GLUCITOL HEMIHYDRATE

Common Name

English

(1S)-1,5-ANHYDRO-1-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)METHYL)-4-METHYLPHENYL)-D-GLUCITOL HEMIHYDRATE

Common Name

English

D-GLUCITOL, 1,5-ANHYDRO-1-C-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)METHYL)-4-METHYLPHENYL)-, HYDRATE (2:1), (1S)-

Common Name

English

CANAGLIFLOZIN HEMIHYDRATE [MI]

Common Name

English

CANAGLIFLOZIN [ORANGE BOOK]

Common Name

English

JNJ-28431754-AAA

Code

English

CANAGLIFLOZIN [USAN]

Common Name

English

CANAGLIFLOZIN COMPONENT OF INVOKAMET

Brand Name

English

JNJ-24831754-ZAE

Code

English

CANAGLIFLOZIN HYDRATE [JAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C98083

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

Code System Code Type Description

CHEBI

73272

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

EVMPD

SUB129761

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

WIKIPEDIA

CANAGLIFLOZIN

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

DRUG BANK

DB08907

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

LACTMED

Canagliflozin

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

CAS

928672-86-0

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

MESH

C552334

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

NCI_THESAURUS

C91018

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

RXCUI

1373458

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

RxNorm

DRUG CENTRAL

4758

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

MERCK INDEX

m11716

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

DAILYMED

0SAC974Z85

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

IUPHAR

4582

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

SMS_ID

100000155682

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

PUBCHEM

24997615

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

USAN

UU-176

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

ChEMBL

CHEMBL2048484

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

FDA UNII

0SAC974Z85

Created by admin on Fri Dec 15 16:07:11 UTC 2023 , Edited by admin on Fri Dec 15 16:07:11 UTC 2023

PRIMARY

Related Record Type Details


					6S49DGR869

CANAGLIFLOZIN ANHYDROUS

ANHYDROUS->SOLVATE


					6S49DGR869

CANAGLIFLOZIN ANHYDROUS

PARENT -> SALT/SOLVATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

Related Record Type Details


					NB28TTE9TA

CANAGLIFLOZIN MONOACETYL IMPURITY

IMPURITY -> PARENT

Amount:


					VG2B83MU6L

D-GLUCOSE, 1-C-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)METHYL)-4-METHYLPHENYL)-

IMPURITY -> PARENT

Amount:


					4X975B8M4V

D-GLUCOPYRANOSIDE, METHYL 1-C-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)METHYL)-4-METHYLPHENYL)-

IMPURITY -> PARENT

Amount:


					6WU245T9GP

(5-BROMO-2-METHYLPHENYL)(5-(4-FLUOROPHENYL)-2-THIENYL)METHANONE

IMPURITY -> PARENT

Amount:


					TV8CWA4HHG

METHANONE, (5-(4-FLUOROPHENYL)-2-THIENYL)(5-.BETA.-D-GLUCOPYRANOSYL-2-METHYLPHENYL)-

IMPURITY -> PARENT

Amount:

Related Record Type Details


					6S49DGR869

CANAGLIFLOZIN ANHYDROUS

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC