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

Approval Year

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

ACTIVE MOIETY


					DCS4MDS87R

BI-653048 PHOSPHATE