FASIGLIFAM HEMIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C29H32O7S.H2O
Molecular Weight	1067.266
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C2=CC(COC3=CC=C4[C@H](CC(O)=O)COC4=C3)=CC=C2.CC5=CC(OCCCS(C)(=O)=O)=CC(C)=C5C6=CC(COC7=CC=C8[C@H](CC(O)=O)COC8=C7)=CC=C6

InChI

InChIKey=OJXYMYYDAVXPIK-IWKNALKQSA-N

InChI=1S/2C29H32O7S.H2O/c2*1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24;/h2*4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31);1H2/t2*23-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C29H32O7S
Molecular Weight	524.625
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:01:42 UTC 2023` Edited by `admin` on `Sat Dec 16 02:01:42 UTC 2023`
Record UNII	8LDT91CH8A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FASIGLIFAM HEMIHYDRATE

Common Name

English

(3S)-6-((2',6'-DIMETHYL-4'-(3-(METHYLSULFONYL)PROPOXY) BIPHENYL-3-YL)METHOXY)-2,3-DIHYDRO-L-BENZOFURAN-3-YL)ACETIC ACID HEMIHYDRATE

Common Name

English

(3S)-6-((2',6'-DIMETHYL-4'-(3-(METHYLSULFONYL)PROPOXY) BIPHENYL-3-YL)METHOXY)-2,3-DIHYDRO-L-BENZOFURAN-3-YL)ACETIC ACID HYDRATE

Common Name

English

TAK875

Code

English

3-BENZOFURANACETIC ACID, 6-((2',6'-DIMETHYL-4'-(3-(METHYLSULFONYL)PROPOXY)(1,1'-BIPHENYL)-3-YL)METHOXY)-2,3-DIHYDRO-, HYDRATE (2:1), (3S)-

Common Name

English

FASIGLIFAM HYDRATE

Common Name

English

FASIGLIFAM HYDRATE [JAN]

Common Name

English

TAK-875

Code

English

Code System Code Type Description

CAS

1374598-80-7

Created by admin on Sat Dec 16 02:01:42 UTC 2023 , Edited by admin on Sat Dec 16 02:01:42 UTC 2023

PRIMARY

EPA CompTox

DTXSID80160191

Created by admin on Sat Dec 16 02:01:42 UTC 2023 , Edited by admin on Sat Dec 16 02:01:42 UTC 2023

PRIMARY

PUBCHEM

57339446

Created by admin on Sat Dec 16 02:01:42 UTC 2023 , Edited by admin on Sat Dec 16 02:01:42 UTC 2023

PRIMARY

FDA UNII

8LDT91CH8A

Created by admin on Sat Dec 16 02:01:42 UTC 2023 , Edited by admin on Sat Dec 16 02:01:42 UTC 2023

PRIMARY

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