BI-653048 PHOSPHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H25F4N3O4S.H3O4P
Molecular Weight	613.516
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OP(O)(O)=O.CCS(=O)(=O)C1=CC2=C(NC(C[C@](O)(CC(C)(C)C3=C(C=C(F)C=C3)C(N)=O)C(F)(F)F)=C2)C=N1

InChI

InChIKey=DPIBBVZDLOOJRM-FTBISJDPSA-N

InChI=1S/C23H25F4N3O4S.H3O4P/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31;1-5(2,3)4/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31);(H3,1,2,3,4)/t22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C23H25F4N3O4S
Molecular Weight	515.521
Charge	0
Count

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

Molecular Formula	H3O4P
Molecular Weight	97.9952
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 11:40:27 GMT 2023` Edited by `admin` on `Sat Dec 16 11:40:27 GMT 2023`
Record UNII	DCS4MDS87R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BI-653048 PHOSPHATE

Common Name

English

BENZAMIDE, 2-((3R)-3-((5-(ETHYLSULFONYL)-1H-PYRROLO(2,3-C)PYRIDIN-2-YL)METHYL)-4,4,4-TRIFLUORO-3-HYDROXY-1,1-DIMETHYLBUTYL)-5-FLUORO-, PHOSPHATE (1:1)

Systematic Name

English

2-((3R)-3-((5-ETHYLSULFONYL-1H-PYRROLO(2,3-C)PYRIDIN-2-YL)METHYL)-4,4,4-TRIFLUORO-3-HYDROXY-1,1-DIMETHYL-BUTYL)-5-FLUORO-BENZAMIDE; PHOSPHORIC ACID

Systematic Name

English

BI653048 PHOSPHATE

Common Name

English

2-((4R)-4-((5-(ETHANESULFONYL)-1H-PYRROLO(2,3-C)PYRIDIN-2-YL)METHYL)-5,5,5-TRIFLUORO-4-HYDROXY-2-METHYLPENTAN-2-YL)-5-FLUOROBENZAMIDE; PHOSPHORIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

DCS4MDS87R

Created by admin on Sat Dec 16 11:40:27 GMT 2023 , Edited by admin on Sat Dec 16 11:40:27 GMT 2023

PRIMARY

CAS

1198784-97-2

Created by admin on Sat Dec 16 11:40:27 GMT 2023 , Edited by admin on Sat Dec 16 11:40:27 GMT 2023

PRIMARY

PUBCHEM

49793273

Created by admin on Sat Dec 16 11:40:27 GMT 2023 , Edited by admin on Sat Dec 16 11:40:27 GMT 2023

PRIMARY

Related Record Type Details


					DCS4MDS87R

BI-653048 PHOSPHATE

ACTIVE MOIETY

Comments:

Official Title: Safety, Tolerability and Pharmacokinetics of BI 653048 H3PO4 Oral Drinking Solution in Healthy Male Volunteers (Dose Range: 0.1 mg - 1500 mg). A Singleblind (Within Dose Groups), Randomised, Placebo-controlled Within Dose Groups, Single Rising Dose Phase I Study Purpose: Investigation of safety and tolerability of BI 653048 H3PO4 following the administration of single rising doses of an aqueous solution in healthy male subjects Pharmacokinetic and pharmacodynamic characteristics of BI 653048, including the investigation of dose proportionality Investigation of relative bioavailability of capsules versus aqueous solution