TOFOGLIFLOZIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26O6.H2O
Molecular Weight	404.4535
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CCC1=CC=C(CC2=CC=C3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=C2)C=C1

InChI

InChIKey=ZXOCGDDVNPDRIW-NHFZGCSJSA-N

InChI=1S/C22H26O6.H2O/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22;/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3;1H2/t18-,19-,20+,21-,22+;/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	C22H26O6
Molecular Weight	386.4382
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 19:47:53 UTC 2023` Edited by `admin` on `Fri Dec 15 19:47:53 UTC 2023`
Record UNII	P8DD8KX4O4
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TOFOGLIFLOZIN

Official Name

English

SPIRO(ISOBENZOFURAN-1(3H),2'-(2H)PYRAN)-3',4',5'-TRIOL,6-((4-ETHYLPHENYL)METHYL)-3',4',5',6'-TETRAHYDRO-6'-(HYDROXYMETHYL)-,HYDRATE (1:1),(1S,3'R,4'S,5'S,6'R)-

Common Name

English

TOFOGLIFLOZIN MONOHYDRATE

Common Name

English

TOFOGLIFLOZIN MONOHYDRATE [MI]

Common Name

English

TOFOGLIFLOZIN HYDRATE

Common Name

English

CSG452

Code

English

TOFOGLIFLOZIN [USAN]

Common Name

English

TOFOGLIFLOZIN HYDRATE [JAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C98083