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Details

Stereochemistry ACHIRAL
Molecular Formula C26H24N6O2.C3H3F3O2
Molecular Weight 580.5577
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BELUMOSUDIL TRIFLUOROACETATE

SMILES

OC(=O)CC(F)(F)F.CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=C(C=CC=C3)C(NC4=CC=C5NN=CC5=C4)=N2

InChI

InChIKey=PBWWPJDQYJXRII-UHFFFAOYSA-N
InChI=1S/C26H24N6O2.C3H3F3O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22;4-3(5,6)1-2(7)8/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31);1H2,(H,7,8)

HIDE SMILES / InChI

Molecular Formula C3H3F3O2
Molecular Weight 128.0499
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H24N6O2
Molecular Weight 452.5078
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 15:55:31 UTC 2023
Edited
by admin
on Sat Dec 16 15:55:31 UTC 2023
Record UNII
LL4OG4RZ5D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BELUMOSUDIL TRIFLUOROACETATE
Common Name English
ACETAMIDE, 2-(3-(4-(1H-INDAZOL-5-YLAMINO)-2-QUINAZOLINYL)PHENOXY)-N-(1-METHYLETHYL)-, 2,2,2-TRIFLUOROACETATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
LL4OG4RZ5D
Created by admin on Sat Dec 16 15:55:31 UTC 2023 , Edited by admin on Sat Dec 16 15:55:31 UTC 2023
PRIMARY
CAS
911417-96-4
Created by admin on Sat Dec 16 15:55:31 UTC 2023 , Edited by admin on Sat Dec 16 15:55:31 UTC 2023
NON-SPECIFIC STOICHIOMETRY
CAS
1243152-02-4
Created by admin on Sat Dec 16 15:55:31 UTC 2023 , Edited by admin on Sat Dec 16 15:55:31 UTC 2023
PRIMARY
PUBCHEM
154572893
Created by admin on Sat Dec 16 15:55:31 UTC 2023 , Edited by admin on Sat Dec 16 15:55:31 UTC 2023
PRIMARY
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