KFA-1982

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H33N3O9S2.ClH
Molecular Weight	656.167
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCCCOC(=O)COC1=C(CCNS(=O)(=O)C2=CC(=CC=C2O)C(=N)NO)C=CC(=C1)C3=C(C=CC=C3)S(C)(=O)=O

InChI

InChIKey=GFSMSIHRCHISJI-UHFFFAOYSA-N

InChI=1S/C28H33N3O9S2.ClH/c1-3-4-15-39-27(33)18-40-24-16-20(22-7-5-6-8-25(22)41(2,35)36)10-9-19(24)13-14-30-42(37,38)26-17-21(28(29)31-34)11-12-23(26)32;/h5-12,16-17,30,32,34H,3-4,13-15,18H2,1-2H3,(H2,29,31);1H

HIDE SMILES / InChI

Molecular Formula	C28H33N3O9S2
Molecular Weight	619.706
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 11:47:28 GMT 2023` Edited by `admin` on `Sat Dec 16 11:47:28 GMT 2023`
Record UNII	GA433E4LRU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KFA-1982

Code

English

BUTYL 2-(2-(2-((2-HYDROXY-5-(N-HYDROXYCARBAMIMIDOYL)PHENYL)SULFONYLAMINO)ETHYL)-5-(2-METHYLSULFONYLPHENYL)PHENOXY)ACETATE HYDROCHLORIDE

Systematic Name

English

KFA1982

Code

English

ACETIC ACID, 2-((4-(2-(((2-HYDROXY-5-((HYDROXYAMINO)IMINOMETHYL)PHENYL)SULFONYL)AMINO)ETHYL)-2'-(METHYLSULFONYL)(1,1'-BIPHENYL)-3-YL)OXY)-, BUTYL ESTER, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

GA433E4LRU

Created by admin on Sat Dec 16 11:47:28 GMT 2023 , Edited by admin on Sat Dec 16 11:47:28 GMT 2023

PRIMARY

PUBCHEM

135443381

Created by admin on Sat Dec 16 11:47:28 GMT 2023 , Edited by admin on Sat Dec 16 11:47:28 GMT 2023

PRIMARY

CAS

409358-98-1

Created by admin on Sat Dec 16 11:47:28 GMT 2023 , Edited by admin on Sat Dec 16 11:47:28 GMT 2023

PRIMARY

MANUFACTURER PRODUCT INFORMATION

KFA-1982

Created by admin on Sat Dec 16 11:47:28 GMT 2023 , Edited by admin on Sat Dec 16 11:47:28 GMT 2023

PRIMARY

KFA-1982(951785-02-7)

Related Record Type Details


					GA433E4LRU

KFA-1982

ACTIVE MOIETY

Comments:

Class: Antithrombotic; Mechanism of Action: Factor Xa inhibitor; Highest Development Phases: Phase I Deep vein thrombosis, Thrombosis; Most Recent Events: 01 Oct 2003 Phase-I clinical trials in Thrombosis in Japan (PO), 01 Oct 2003 Phase-I clinical trials in Thrombosis in Europe (PO)


					GA433E4LRU

KFA-1982

ACTIVE MOIETY

Comments:

Many polymorphs of KFA-1982, an orally active factor Xa (fXa) inhibitor, have been identified and their physicochemical properties have been investigated. Form B was selected as the oral API form because of its superior stability and solubility characteristics. The hydrochloride salt was selected for the API because of good stability.