CANAGLIFLOZIN MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H25FO5S.H2O
Molecular Weight	462.531
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

InChI

InChIKey=RCCZPUWDQVUJAB-FVYJGOGTSA-N

InChI=1S/C24H25FO5S.H2O/c1-13-2-3-15(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;/h2-10,19,21-24,26-29H,11-12H2,1H3;1H2/t19-,21-,22+,23-,24+;/m1./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 `Sat Dec 16 15:42:08 UTC 2023` Edited by `admin` on `Sat Dec 16 15:42:08 UTC 2023`
Record UNII	B2L6AES9XQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CANAGLIFLOZIN MONOHYDRATE

Common Name

English

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

Common Name

English

Code System Code Type Description

PUBCHEM

66653479

Created by admin on Sat Dec 16 15:42:09 UTC 2023 , Edited by admin on Sat Dec 16 15:42:09 UTC 2023

PRIMARY

CAS

1809403-05-1

Created by admin on Sat Dec 16 15:42:09 UTC 2023 , Edited by admin on Sat Dec 16 15:42:09 UTC 2023

PRIMARY

FDA UNII

B2L6AES9XQ

Created by admin on Sat Dec 16 15:42:09 UTC 2023 , Edited by admin on Sat Dec 16 15:42:09 UTC 2023

PRIMARY

SMS_ID

300000039825

Created by admin on Sat Dec 16 15:42:09 UTC 2023 , Edited by admin on Sat Dec 16 15:42:09 UTC 2023

PRIMARY

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ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC