FIRAZOREXTON SESQUIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C22H25F3N2O4S.3H2O
Molecular Weight	995.056
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.CC(C)(O)C(=O)N1CC[C@H](NS(C)(=O)=O)[C@@H]1CC2=CC=CC(C3=CC(F)=CC(F)=C3)=C2F.CC(C)(O)C(=O)N4CC[C@H](NS(C)(=O)=O)[C@@H]4CC5=CC=CC(C6=CC(F)=CC(F)=C6)=C5F

InChI

InChIKey=XNRBNIWRMZALLM-JRMNKBLGSA-N

InChI=1S/2C22H25F3N2O4S.3H2O/c2*1-22(2,29)21(28)27-8-7-18(26-32(3,30)31)19(27)11-13-5-4-6-17(20(13)25)14-9-15(23)12-16(24)10-14;;;/h2*4-6,9-10,12,18-19,26,29H,7-8,11H2,1-3H3;3*1H2/t2*18-,19-;;;/m00.../s1

HIDE SMILES / InChI

Molecular Formula	C22H25F3N2O4S
Molecular Weight	470.505
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
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 `Tue Apr 01 23:36:02 GMT 2025` Edited by `admin` on `Tue Apr 01 23:36:02 GMT 2025`
Record UNII	UG2P1IR7L3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FIRAZOREXTON SESQUIHYDRATE

Common Name

English

TAK-994 SESQUIHYDRATE

Preferred Name

English

Code System Code Type Description

CAS

2861934-86-1

Created by admin on Tue Apr 01 23:36:02 GMT 2025 , Edited by admin on Tue Apr 01 23:36:02 GMT 2025

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PUBCHEM

169490720

Created by admin on Tue Apr 01 23:36:02 GMT 2025 , Edited by admin on Tue Apr 01 23:36:02 GMT 2025

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FDA UNII

UG2P1IR7L3

Created by admin on Tue Apr 01 23:36:02 GMT 2025 , Edited by admin on Tue Apr 01 23:36:02 GMT 2025

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SMS_ID

300000023631

Created by admin on Tue Apr 01 23:36:02 GMT 2025 , Edited by admin on Tue Apr 01 23:36:02 GMT 2025

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